5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18N4O — CID 97073098

IUPAC5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)N[C@@H]3CC[C@@H]3c3ccccc3)c2n1
InChIInChI=1S/C18H18N4O/c1-12-9-10-22-17(20-12)15(11-19-22)18(23)21-16-8-7-14(16)13-5-3-2-4-6-13/h2-6,9-11,14,16H,7-8H2,1H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyGJXJBAZFZXXPPH-GDBMZVCRSA-N
MW306.37 g/mol
LogP2.71
Rot. Bonds3

About 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 97073098) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID97073098
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)N[C@@H]3CC[C@@H]3c3ccccc3)c2n1
InChIInChI=1S/C18H18N4O/c1-12-9-10-22-17(20-12)15(11-19-22)18(23)21-16-8-7-14(16)13-5-3-2-4-6-13/h2-6,9-11,14,16H,7-8H2,1H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyGJXJBAZFZXXPPH-GDBMZVCRSA-N
XLogP2.71
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 97073098) is 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)N[C@@H]3CC[C@@H]3c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GJXJBAZFZXXPPH-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-9-10-22-17(20-12)15(11-19-22)18(23)21-16-8-7-14(16)13-5-3-2-4-6-13/h2-6,9-11,14,16H,7-8H2,1H3,(H,21,23)/t14-,16-/m1/s1.
What are the key properties of 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 97073098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).