4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide

C21H30N6O — CID 91773598

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC2CC(c3cc(N4CCCC4)ncn3)C2)n1
InChIInChI=1S/C21H30N6O/c1-15-10-16(2)27(25-15)9-5-6-21(28)24-18-11-17(12-18)19-13-20(23-14-22-19)26-7-3-4-8-26/h10,13-14,17-18H,3-9,11-12H2,1-2H3,(H,24,28)
InChIKeyBEIKJCLJRFEGFJ-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.73
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide (PubChem CID 91773598) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide
PubChem CID91773598
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)NC2CC(c3cc(N4CCCC4)ncn3)C2)n1
InChIInChI=1S/C21H30N6O/c1-15-10-16(2)27(25-15)9-5-6-21(28)24-18-11-17(12-18)19-13-20(23-14-22-19)26-7-3-4-8-26/h10,13-14,17-18H,3-9,11-12H2,1-2H3,(H,24,28)
InChIKeyBEIKJCLJRFEGFJ-UHFFFAOYSA-N
XLogP2.73
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide
CID 110107173
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CID 19557611
3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43416849
4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 131935588
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 45191724
N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90520777
4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
CID 46956350
N-cyclopropyl-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495505
N-cyclohexyl-2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111280151

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide (CID 91773598) is 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide is Cc1cc(C)n(CCCC(=O)NC2CC(c3cc(N4CCCC4)ncn3)C2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide?
The InChIKey is BEIKJCLJRFEGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15-10-16(2)27(25-15)9-5-6-21(28)24-18-11-17(12-18)19-13-20(23-14-22-19)26-7-3-4-8-26/h10,13-14,17-18H,3-9,11-12H2,1-2H3,(H,24,28).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide has a molecular weight of 382.51 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)cyclobutyl]butanamide is sourced from PubChem (CID 91773598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).