N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide

C19H22ClN5O — CID 176713922

IUPACN-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide
SMILESCCC(C)c1cc(NC(=O)C(C)c2cnn(-c3cccc(Cl)c3)c2)n[nH]1
InChIInChI=1S/C19H22ClN5O/c1-4-12(2)17-9-18(24-23-17)22-19(26)13(3)14-10-21-25(11-14)16-7-5-6-15(20)8-16/h5-13H,4H2,1-3H3,(H2,22,23,24,26)
InChIKeyULBZUOBFJDYWFK-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.50
Rot. Bonds6

About N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide

N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide (PubChem CID 176713922) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide
PubChem CID176713922
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC NameN-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide
SMILESCCC(C)c1cc(NC(=O)C(C)c2cnn(-c3cccc(Cl)c3)c2)n[nH]1
InChIInChI=1S/C19H22ClN5O/c1-4-12(2)17-9-18(24-23-17)22-19(26)13(3)14-10-21-25(11-14)16-7-5-6-15(20)8-16/h5-13H,4H2,1-3H3,(H2,22,23,24,26)
InChIKeyULBZUOBFJDYWFK-UHFFFAOYSA-N
XLogP4.50
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-[3-(difluoromethyl)phenyl]pyrazol-4-yl]propanamide;4-fluorohex-1-ene
CID 176713808
2-[1-(4-chloro-3-methylphenyl)pyrazol-4-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide;1-cyclopropyl-N-methylethanimine;propane
CID 176713809
2-[1-(3-chlorophenyl)pyrazol-4-yl]-N-[(Z)-1,3-diamino-3-cyclopropylprop-2-enylidene]propanamide
CID 176713847
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide
CID 60527227
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092
5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine
CID 63047816
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119599531
3-(4-propan-2-ylpyrazol-1-yl)benzoic acid
CID 84793615
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
1-phenyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 75426525

Frequently Asked Questions

What is the IUPAC name of N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide?
The IUPAC name of N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide (CID 176713922) is N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide is CCC(C)c1cc(NC(=O)C(C)c2cnn(-c3cccc(Cl)c3)c2)n[nH]1.
What is the InChIKey of N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide?
The InChIKey is ULBZUOBFJDYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-4-12(2)17-9-18(24-23-17)22-19(26)13(3)14-10-21-25(11-14)16-7-5-6-15(20)8-16/h5-13H,4H2,1-3H3,(H2,22,23,24,26).
What are the key properties of N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide?
N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide has a molecular weight of 371.87 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butan-2-yl-1H-pyrazol-3-yl)-2-[1-(3-chlorophenyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 176713922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).