5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C18H24N4O2 — CID 96514087

IUPAC5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccccc1OCCN1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C18H24N4O2/c1-13-5-2-3-7-17(13)24-10-9-22-8-4-6-14(12-22)15-11-16(18(19)23)21-20-15/h2-3,5,7,11,14H,4,6,8-10,12H2,1H3,(H2,19,23)(H,20,21)/t14-/m1/s1
InChIKeyKKUAWXYOQNVCIL-CQSZACIVSA-N
MW328.42 g/mol
LogP2.08
Rot. Bonds6

About 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96514087) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96514087
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccccc1OCCN1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C18H24N4O2/c1-13-5-2-3-7-17(13)24-10-9-22-8-4-6-14(12-22)15-11-16(18(19)23)21-20-15/h2-3,5,7,11,14H,4,6,8-10,12H2,1H3,(H2,19,23)(H,20,21)/t14-/m1/s1
InChIKeyKKUAWXYOQNVCIL-CQSZACIVSA-N
XLogP2.08
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514013
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927105
5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927132
5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217786
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513943
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217770
5-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927110
5-[(3R)-1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217776
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97021234

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96514087) is 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is Cc1ccccc1OCCN1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1.
What is the InChIKey of 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is KKUAWXYOQNVCIL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-5-2-3-7-17(13)24-10-9-22-8-4-6-14(12-22)15-11-16(18(19)23)21-20-15/h2-3,5,7,11,14H,4,6,8-10,12H2,1H3,(H2,19,23)(H,20,21)/t14-/m1/s1.
What are the key properties of 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96514087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).