(2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

C15H24N4O — CID 118738737

IUPAC(2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCC(C)N1CCc2[nH]nc(C(=O)N3CCCC3C)c2C1
InChIInChI=1S/C15H24N4O/c1-10(2)18-8-6-13-12(9-18)14(17-16-13)15(20)19-7-4-5-11(19)3/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyQGMKXUDYXJQGCP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.80
Rot. Bonds2

About (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone

(2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone (PubChem CID 118738737) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
PubChem CID118738737
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCC(C)N1CCc2[nH]nc(C(=O)N3CCCC3C)c2C1
InChIInChI=1S/C15H24N4O/c1-10(2)18-8-6-13-12(9-18)14(17-16-13)15(20)19-7-4-5-11(19)3/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyQGMKXUDYXJQGCP-UHFFFAOYSA-N
XLogP1.80
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 123
CID 121279532
US10022354, Example 27
CID 121279544
2-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
CID 137634783
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
US10022354, Example 124
CID 121279533
US11691968, Example 136
CID 167524562
US20230271952, Example 136
CID 168678798
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
N-cyclopentyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832112
8-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56871969
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892340
3-methyl-7-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56895561

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone (CID 118738737) is (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone is CC(C)N1CCc2[nH]nc(C(=O)N3CCCC3C)c2C1.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The InChIKey is QGMKXUDYXJQGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10(2)18-8-6-13-12(9-18)14(17-16-13)15(20)19-7-4-5-11(19)3/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
(2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone is sourced from PubChem (CID 118738737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).