1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

C16H22N6O2 — CID 121279595

IUPAC1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)C2)n[nH]1
InChIInChI=1S/C16H22N6O2/c1-10(2)13-6-14(20-19-13)16(24)22-5-4-12(9-22)18-15(23)11-7-17-21(3)8-11/h6-8,10,12H,4-5,9H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyCEOWLYHPGPFJKF-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.91
Rot. Bonds4

About 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide

1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 121279595) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID121279595
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)C2)n[nH]1
InChIInChI=1S/C16H22N6O2/c1-10(2)13-6-14(20-19-13)16(24)22-5-4-12(9-22)18-15(23)11-7-17-21(3)8-11/h6-8,10,12H,4-5,9H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyCEOWLYHPGPFJKF-UHFFFAOYSA-N
XLogP0.91
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 121279595) is 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)C2)n[nH]1.
What is the InChIKey of 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is CEOWLYHPGPFJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-10(2)13-6-14(20-19-13)16(24)22-5-4-12(9-22)18-15(23)11-7-17-21(3)8-11/h6-8,10,12H,4-5,9H2,1-3H3,(H,18,23)(H,19,20).
What are the key properties of 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 121279595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).