5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide

C16H26N4O2 — CID 42959789

IUPAC5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide
SMILESCCC(C)(CNC(=O)c1cc(C2CC2)[nH]n1)N1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-3-16(2,20-6-8-22-9-7-20)11-17-15(21)14-10-13(18-19-14)12-4-5-12/h10,12H,3-9,11H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyKKIOYICZBDZVIY-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.52
Rot. Bonds6

About 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide (PubChem CID 42959789) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide
PubChem CID42959789
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide
SMILESCCC(C)(CNC(=O)c1cc(C2CC2)[nH]n1)N1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-3-16(2,20-6-8-22-9-7-20)11-17-15(21)14-10-13(18-19-14)12-4-5-12/h10,12H,3-9,11H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyKKIOYICZBDZVIY-UHFFFAOYSA-N
XLogP1.52
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51943596
4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide
CID 46450216
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
CID 95227280
5-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119391192
5-cyclopropyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1H-pyrazole-3-carboxamide
CID 95621160
N-cyclopropyl-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 166264435
5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119430091
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388
5-cyclopropyl-N-[[(2S,5R)-1-methyl-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 171386730
N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112708128
N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119495448

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide (CID 42959789) is 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide is CCC(C)(CNC(=O)c1cc(C2CC2)[nH]n1)N1CCOCC1.
What is the InChIKey of 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KKIOYICZBDZVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-16(2,20-6-8-22-9-7-20)11-17-15(21)14-10-13(18-19-14)12-4-5-12/h10,12H,3-9,11H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-methyl-2-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42959789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).