5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H15N5O — CID 136512225

IUPAC5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NCc3ccn(C)c3)c2n1
InChIInChI=1S/C14H15N5O/c1-10-3-6-19-13(17-10)12(8-16-19)14(20)15-7-11-4-5-18(2)9-11/h3-6,8-9H,7H2,1-2H3,(H,15,20)
InChIKeyCHEIUTMECRVFTB-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.31
Rot. Bonds3

About 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136512225) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136512225
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NCc3ccn(C)c3)c2n1
InChIInChI=1S/C14H15N5O/c1-10-3-6-19-13(17-10)12(8-16-19)14(20)15-7-11-4-5-18(2)9-11/h3-6,8-9H,7H2,1-2H3,(H,15,20)
InChIKeyCHEIUTMECRVFTB-UHFFFAOYSA-N
XLogP1.31
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136512225) is 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)NCc3ccn(C)c3)c2n1.
What is the InChIKey of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CHEIUTMECRVFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-3-6-19-13(17-10)12(8-16-19)14(20)15-7-11-4-5-18(2)9-11/h3-6,8-9H,7H2,1-2H3,(H,15,20).
What are the key properties of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136512225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).