2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

C16H21N5O — CID 122300441

IUPAC2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)CC3CCCC3)cn2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-12(2)21(20-11)16-17-9-14(10-18-16)19-15(22)8-13-5-3-4-6-13/h7,9-10,13H,3-6,8H2,1-2H3,(H,19,22)
InChIKeyUKBRKJDJKFNSCR-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.80
Rot. Bonds4

About 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122300441) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122300441
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)CC3CCCC3)cn2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-12(2)21(20-11)16-17-9-14(10-18-16)19-15(22)8-13-5-3-4-6-13/h7,9-10,13H,3-6,8H2,1-2H3,(H,19,22)
InChIKeyUKBRKJDJKFNSCR-UHFFFAOYSA-N
XLogP2.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
CID 122300554
2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301003
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122300497
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122300571
4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide
CID 122300536
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122300477
2-cyclohexyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108756571

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (CID 122300441) is 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is Cc1cc(C)n(-c2ncc(NC(=O)CC3CCCC3)cn2)n1.
What is the InChIKey of 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is UKBRKJDJKFNSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-7-12(2)21(20-11)16-17-9-14(10-18-16)19-15(22)8-13-5-3-4-6-13/h7,9-10,13H,3-6,8H2,1-2H3,(H,19,22).
What are the key properties of 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 299.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122300441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).