N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H14ClN5O — CID 70497750

IUPACN-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C19H14ClN5O/c1-12-8-17(15(10-22-12)13-4-2-5-14(20)9-13)24-19(26)16-11-23-25-7-3-6-21-18(16)25/h2-11H,1H3,(H,22,24,26)
InChIKeyMHVVFDUISIWISF-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.01
Rot. Bonds3

About N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70497750) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70497750
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C19H14ClN5O/c1-12-8-17(15(10-22-12)13-4-2-5-14(20)9-13)24-19(26)16-11-23-25-7-3-6-21-18(16)25/h2-11H,1H3,(H,22,24,26)
InChIKeyMHVVFDUISIWISF-UHFFFAOYSA-N
XLogP4.01
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70497750) is N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)cn1.
What is the InChIKey of N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MHVVFDUISIWISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-8-17(15(10-22-12)13-4-2-5-14(20)9-13)24-19(26)16-11-23-25-7-3-6-21-18(16)25/h2-11H,1H3,(H,22,24,26).
What are the key properties of N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70497750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).