N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide

C19H22ClN5O — CID 35760755

IUPACN-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccc(NC(=O)CCc3cnn(C)c3C)cc2)c(C)c1Cl
InChIInChI=1S/C19H22ClN5O/c1-12-19(20)14(3)25(23-12)17-8-6-16(7-9-17)22-18(26)10-5-15-11-21-24(4)13(15)2/h6-9,11H,5,10H2,1-4H3,(H,22,26)
InChIKeyIQQPZSYXQOJVEV-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.76
Rot. Bonds5

About N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide

N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide (PubChem CID 35760755) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide
PubChem CID35760755
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC NameN-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccc(NC(=O)CCc3cnn(C)c3C)cc2)c(C)c1Cl
InChIInChI=1S/C19H22ClN5O/c1-12-19(20)14(3)25(23-12)17-8-6-16(7-9-17)22-18(26)10-5-15-11-21-24(4)13(15)2/h6-9,11H,5,10H2,1-4H3,(H,22,26)
InChIKeyIQQPZSYXQOJVEV-UHFFFAOYSA-N
XLogP3.76
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 35281504
4-chloro-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 35532568
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 35281421
N-(3,5-dichloro-2-pyridinyl)-3-(1,5-dimethylpyrazol-4-yl)propanamide
CID 39891150
3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 38950448
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502089
3-(1,5-dimethylpyrazol-4-yl)-N-(7-methoxyquinolin-3-yl)propanamide
CID 75358407
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-(5-methyl-1H-imidazol-2-yl)propanamide
CID 166278287
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide
CID 29092741

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide (CID 35760755) is N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide is Cc1nn(-c2ccc(NC(=O)CCc3cnn(C)c3C)cc2)c(C)c1Cl.
What is the InChIKey of N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide?
The InChIKey is IQQPZSYXQOJVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-12-19(20)14(3)25(23-12)17-8-6-16(7-9-17)22-18(26)10-5-15-11-21-24(4)13(15)2/h6-9,11H,5,10H2,1-4H3,(H,22,26).
What are the key properties of N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide?
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide has a molecular weight of 371.87 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(1,5-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35760755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).