N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide

C16H20N6O2 — CID 136665323

IUPACN-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC(c2cc(=O)[nH]c(N3CCCC3)n2)C1)c1cn[nH]c1
InChIInChI=1S/C16H20N6O2/c23-14-7-13(20-16(21-14)22-3-1-2-4-22)10-5-12(6-10)19-15(24)11-8-17-18-9-11/h7-10,12H,1-6H2,(H,17,18)(H,19,24)(H,20,21,23)
InChIKeyOIMOZQORQIZMGJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.77
Rot. Bonds4

About N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide

N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide (PubChem CID 136665323) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide
PubChem CID136665323
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC(c2cc(=O)[nH]c(N3CCCC3)n2)C1)c1cn[nH]c1
InChIInChI=1S/C16H20N6O2/c23-14-7-13(20-16(21-14)22-3-1-2-4-22)10-5-12(6-10)19-15(24)11-8-17-18-9-11/h7-10,12H,1-6H2,(H,17,18)(H,19,24)(H,20,21,23)
InChIKeyOIMOZQORQIZMGJ-UHFFFAOYSA-N
XLogP0.77
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide (CID 136665323) is N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide is O=C(NC1CC(c2cc(=O)[nH]c(N3CCCC3)n2)C1)c1cn[nH]c1.
What is the InChIKey of N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OIMOZQORQIZMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-14-7-13(20-16(21-14)22-3-1-2-4-22)10-5-12(6-10)19-15(24)11-8-17-18-9-11/h7-10,12H,1-6H2,(H,17,18)(H,19,24)(H,20,21,23).
What are the key properties of N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide?
N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 136665323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).