N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide

C23H21N5O — CID 72873937

IUPACN,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H21N5O/c1-17-21(14-24-22(26-17)19-9-5-3-6-10-19)23(29)27(2)15-18-13-25-28(16-18)20-11-7-4-8-12-20/h3-14,16H,15H2,1-2H3
InChIKeyMVJBYIFUSKLPLU-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.91
Rot. Bonds5

About N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide

N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 72873937) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID72873937
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H21N5O/c1-17-21(14-24-22(26-17)19-9-5-3-6-10-19)23(29)27(2)15-18-13-25-28(16-18)20-11-7-4-8-12-20/h3-14,16H,15H2,1-2H3
InChIKeyMVJBYIFUSKLPLU-UHFFFAOYSA-N
XLogP3.91
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
CID 55823560
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
6-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 17458039
N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830424
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 42670152
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide (CID 72873937) is N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is MVJBYIFUSKLPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-17-21(14-24-22(26-17)19-9-5-3-6-10-19)23(29)27(2)15-18-13-25-28(16-18)20-11-7-4-8-12-20/h3-14,16H,15H2,1-2H3.
What are the key properties of N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide?
N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72873937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).