N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

C16H24N4O3 — CID 121279562

IUPACN-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCOCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1
InChIInChI=1S/C16H24N4O3/c1-10(9-23-2)13-7-14(19-18-13)16(22)20-6-5-12(8-20)17-15(21)11-3-4-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyMGUMFMQACXTQMO-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.90
Rot. Bonds6

About N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 121279562) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID121279562
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCOCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1
InChIInChI=1S/C16H24N4O3/c1-10(9-23-2)13-7-14(19-18-13)16(22)20-6-5-12(8-20)17-15(21)11-3-4-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyMGUMFMQACXTQMO-UHFFFAOYSA-N
XLogP0.90
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 121279749
N-[1-(5-butan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]formamide
CID 145062856
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213
1-methyl-N-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279422
1-cyano-N-[(3R)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 121279425
2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 166351832
2,6-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 167924107
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-propoxybenzamide
CID 121279565
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519
(5-propan-2-yl-1H-pyrazol-3-yl)-[3-[(3,3,3-trifluoro-1-hydroxypropyl)amino]pyrrolidin-1-yl]methanone
CID 162575493
2-propan-2-yloxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 121279734
4,5-dimethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 166351781

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 121279562) is N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is COCC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)n[nH]1.
What is the InChIKey of N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is MGUMFMQACXTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(9-23-2)13-7-14(19-18-13)16(22)20-6-5-12(8-20)17-15(21)11-3-4-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121279562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).