N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H25N5O2 — CID 137018408

IUPACN-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N(C)C1CCC1
InChIInChI=1S/C18H25N5O2/c1-11-16(18(25)22(2)13-4-3-5-13)17-20-15(24)10-14(23(17)21-11)12-6-8-19-9-7-12/h10,12-13,19H,3-9H2,1-2H3,(H,20,24)
InChIKeyIJJZNCMSLLMITL-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.42
Rot. Bonds3

About N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018408) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018408
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N(C)C1CCC1
InChIInChI=1S/C18H25N5O2/c1-11-16(18(25)22(2)13-4-3-5-13)17-20-15(24)10-14(23(17)21-11)12-6-8-19-9-7-12/h10,12-13,19H,3-9H2,1-2H3,(H,20,24)
InChIKeyIJJZNCMSLLMITL-UHFFFAOYSA-N
XLogP1.42
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018408) is N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C(=O)N(C)C1CCC1.
What is the InChIKey of N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IJJZNCMSLLMITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-16(18(25)22(2)13-4-3-5-13)17-20-15(24)10-14(23(17)21-11)12-6-8-19-9-7-12/h10,12-13,19H,3-9H2,1-2H3,(H,20,24).
What are the key properties of N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N,2-dimethyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).