2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21N5O — CID 167748775

IUPAC2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1CNc1ccccc1NC(=O)c1c(C)nn2cccnc12
InChIInChI=1S/C22H21N5O/c1-15-8-3-4-9-17(15)14-24-18-10-5-6-11-19(18)25-22(28)20-16(2)26-27-13-7-12-23-21(20)27/h3-13,24H,14H2,1-2H3,(H,25,28)
InChIKeySFCDIHHGGKHALP-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.21
Rot. Bonds5

About 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167748775) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167748775
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccccc1CNc1ccccc1NC(=O)c1c(C)nn2cccnc12
InChIInChI=1S/C22H21N5O/c1-15-8-3-4-9-17(15)14-24-18-10-5-6-11-19(18)25-22(28)20-16(2)26-27-13-7-12-23-21(20)27/h3-13,24H,14H2,1-2H3,(H,25,28)
InChIKeySFCDIHHGGKHALP-UHFFFAOYSA-N
XLogP4.21
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
3-bromo-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462053
2-methyl-N-[4-(methylsulfanylmethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71930700
N-[6-(dimethylamino)-3-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87045045
N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86839885
2-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 86822894
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
N-(4-ethoxy-3-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87030954
6-hydroxy-2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]quinoline-3-carboxamide
CID 166351303
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55993312
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55820641
pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86846448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167748775) is 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccccc1CNc1ccccc1NC(=O)c1c(C)nn2cccnc12.
What is the InChIKey of 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SFCDIHHGGKHALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-8-3-4-9-17(15)14-24-18-10-5-6-11-19(18)25-22(28)20-16(2)26-27-13-7-12-23-21(20)27/h3-13,24H,14H2,1-2H3,(H,25,28).
What are the key properties of 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-methylphenyl)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167748775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).