N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C21H25N5O — CID 55672662

IUPACN-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)ccc1N(C)C
InChIInChI=1S/C21H25N5O/c1-14(2)20-17(13-23-26(20)19-8-6-7-11-22-19)21(27)24-16-9-10-18(25(4)5)15(3)12-16/h6-14H,1-5H3,(H,24,27)
InChIKeyKFAZKIPKQXQDDX-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.02
Rot. Bonds5

About N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55672662) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55672662
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)ccc1N(C)C
InChIInChI=1S/C21H25N5O/c1-14(2)20-17(13-23-26(20)19-8-6-7-11-22-19)21(27)24-16-9-10-18(25(4)5)15(3)12-16/h6-14H,1-5H3,(H,24,27)
InChIKeyKFAZKIPKQXQDDX-UHFFFAOYSA-N
XLogP4.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

S-[4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56579701
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38032304
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 56583372
N-(8-methylquinolin-5-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55670870
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55971679
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427415
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
N-(5-chloro-1-methylpyrazol-4-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126834415
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546318
N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55604100
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
CID 46426896

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55672662) is N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)ccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is KFAZKIPKQXQDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14(2)20-17(13-23-26(20)19-8-6-7-11-22-19)21(27)24-16-9-10-18(25(4)5)15(3)12-16/h6-14H,1-5H3,(H,24,27).
What are the key properties of N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55672662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).