2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C16H21N5O2 — CID 155962112

IUPAC2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cnc(C2CCC2)[nH]c1=O
InChIInChI=1S/C16H21N5O2/c1-9-12(10(2)21-20-9)6-7-17-15(22)13-8-18-14(19-16(13)23)11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H,17,22)(H,20,21)(H,18,19,23)
InChIKeyQVWORIDVPPJXQG-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.35
Rot. Bonds5

About 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 155962112) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID155962112
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cnc(C2CCC2)[nH]c1=O
InChIInChI=1S/C16H21N5O2/c1-9-12(10(2)21-20-9)6-7-17-15(22)13-8-18-14(19-16(13)23)11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H,17,22)(H,20,21)(H,18,19,23)
InChIKeyQVWORIDVPPJXQG-UHFFFAOYSA-N
XLogP1.35
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
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N-cyclohexyl-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
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N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]cyclohexanecarboxamide
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N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 112529920
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
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N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
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2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70752444
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 121120534
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 166419184
2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 155962112) is 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)c1cnc(C2CCC2)[nH]c1=O.
What is the InChIKey of 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is QVWORIDVPPJXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-9-12(10(2)21-20-9)6-7-17-15(22)13-8-18-14(19-16(13)23)11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H,17,22)(H,20,21)(H,18,19,23).
What are the key properties of 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 155962112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).