(1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide

C24H28N4O2 — CID 164640297

IUPAC(1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)[C@H]1C(=O)NCC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C24H28N4O2/c1-15-21(18-5-3-2-4-6-18)22(15)23(29)25-14-16-9-11-28(12-10-16)24(30)20-13-19(26-27-20)17-7-8-17/h2-6,13,16-17,22H,7-12,14H2,1H3,(H,25,29)(H,26,27)/t22-/m0/s1
InChIKeyUNGZEZHMDVTIGU-QFIPXVFZSA-N
MW404.51 g/mol
LogP3.36
Rot. Bonds6

About (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide

(1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide (PubChem CID 164640297) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
PubChem CID164640297
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
SMILESCC1=C(c2ccccc2)[C@H]1C(=O)NCC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1
InChIInChI=1S/C24H28N4O2/c1-15-21(18-5-3-2-4-6-18)22(15)23(29)25-14-16-9-11-28(12-10-16)24(30)20-13-19(26-27-20)17-7-8-17/h2-6,13,16-17,22H,7-12,14H2,1H3,(H,25,29)(H,26,27)/t22-/m0/s1
InChIKeyUNGZEZHMDVTIGU-QFIPXVFZSA-N
XLogP3.36
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644750
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119622124
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 46576805
(5-cyclopropyl-1H-pyrazol-3-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502326
(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910898
3-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944769
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 94199651
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887579
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125
methyl 5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
CID 155958342

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide?
The IUPAC name of (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide (CID 164640297) is (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide is CC1=C(c2ccccc2)[C@H]1C(=O)NCC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1.
What is the InChIKey of (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide?
The InChIKey is UNGZEZHMDVTIGU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15-21(18-5-3-2-4-6-18)22(15)23(29)25-14-16-9-11-28(12-10-16)24(30)20-13-19(26-27-20)17-7-8-17/h2-6,13,16-17,22H,7-12,14H2,1H3,(H,25,29)(H,26,27)/t22-/m0/s1.
What are the key properties of (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide?
(1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide is sourced from PubChem (CID 164640297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).