N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide

C16H21N5O2 — CID 135892137

IUPACN-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
SMILESCc1nc(-n2nc(C3CC3)cc2NC(=O)C(C)C)[nH]c(=O)c1C
InChIInChI=1S/C16H21N5O2/c1-8(2)14(22)18-13-7-12(11-5-6-11)20-21(13)16-17-10(4)9(3)15(23)19-16/h7-8,11H,5-6H2,1-4H3,(H,18,22)(H,17,19,23)
InChIKeyYJKMZXIILXVITH-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.04
Rot. Bonds4

About N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide

N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide (PubChem CID 135892137) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
PubChem CID135892137
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
SMILESCc1nc(-n2nc(C3CC3)cc2NC(=O)C(C)C)[nH]c(=O)c1C
InChIInChI=1S/C16H21N5O2/c1-8(2)14(22)18-13-7-12(11-5-6-11)20-21(13)16-17-10(4)9(3)15(23)19-16/h7-8,11H,5-6H2,1-4H3,(H,18,22)(H,17,19,23)
InChIKeyYJKMZXIILXVITH-UHFFFAOYSA-N
XLogP2.04
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
CID 5330972
N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
CID 135551798
2-cyclohexyl-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135551800
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-isopropylpyrimidin-4(3H)-one
CID 135984534
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazol-5-yl)-3-methylbutanamide
CID 136253212
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroqui
CID 136253213
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
N-(3-cyclopropyl-1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 135892053
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135984533
2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162645681
2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 162667485
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide (CID 135892137) is N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide is Cc1nc(-n2nc(C3CC3)cc2NC(=O)C(C)C)[nH]c(=O)c1C.
What is the InChIKey of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide?
The InChIKey is YJKMZXIILXVITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-8(2)14(22)18-13-7-12(11-5-6-11)20-21(13)16-17-10(4)9(3)15(23)19-16/h7-8,11H,5-6H2,1-4H3,(H,18,22)(H,17,19,23).
What are the key properties of N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide?
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide has a molecular weight of 315.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 135892137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).