N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide

C16H19N5O2 — CID 135892053

IUPACN-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C2CC2)n1
InChIInChI=1S/C16H19N5O2/c1-2-11-7-14(22)19-16(17-11)21-13(18-15(23)10-5-6-10)8-12(20-21)9-3-4-9/h7-10H,2-6H2,1H3,(H,18,23)(H,17,19,22)
InChIKeyCRBDNBVPAXARQN-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.74
Rot. Bonds5

About N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide

N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide (PubChem CID 135892053) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide
PubChem CID135892053
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C2CC2)n1
InChIInChI=1S/C16H19N5O2/c1-2-11-7-14(22)19-16(17-11)21-13(18-15(23)10-5-6-10)8-12(20-21)9-3-4-9/h7-10H,2-6H2,1H3,(H,18,23)(H,17,19,22)
InChIKeyCRBDNBVPAXARQN-UHFFFAOYSA-N
XLogP1.74
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.74
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-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135892137
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
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
N-[1-(4-ethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-methyl-5-pyrazolyl]cyclopropanecarboxamide
CID 135753036

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide (CID 135892053) is N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide is CCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)C2CC2)n1.
What is the InChIKey of N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide?
The InChIKey is CRBDNBVPAXARQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-11-7-14(22)19-16(17-11)21-13(18-15(23)10-5-6-10)8-12(20-21)9-3-4-9/h7-10H,2-6H2,1H3,(H,18,23)(H,17,19,22).
What are the key properties of N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide?
N-[3-cyclopropyl-1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.74, 5 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-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135892053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).