3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide

C17H19N5O — CID 35536101

IUPAC3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
SMILESCc1ccn(-c2ccc(NC(=O)CCc3cnn(C)c3)cc2)n1
InChIInChI=1S/C17H19N5O/c1-13-9-10-22(20-13)16-6-4-15(5-7-16)19-17(23)8-3-14-11-18-21(2)12-14/h4-7,9-12H,3,8H2,1-2H3,(H,19,23)
InChIKeyPPRHCVPBGMJXKV-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.49
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide

3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide (PubChem CID 35536101) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
PubChem CID35536101
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
SMILESCc1ccn(-c2ccc(NC(=O)CCc3cnn(C)c3)cc2)n1
InChIInChI=1S/C17H19N5O/c1-13-9-10-22(20-13)16-6-4-15(5-7-16)19-17(23)8-3-14-11-18-21(2)12-14/h4-7,9-12H,3,8H2,1-2H3,(H,19,23)
InChIKeyPPRHCVPBGMJXKV-UHFFFAOYSA-N
XLogP2.49
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
CID 166268614
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35533172
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 60527071
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 131942241
N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527045
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 49170952
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120566722

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide (CID 35536101) is 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide is Cc1ccn(-c2ccc(NC(=O)CCc3cnn(C)c3)cc2)n1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide?
The InChIKey is PPRHCVPBGMJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13-9-10-22(20-13)16-6-4-15(5-7-16)19-17(23)8-3-14-11-18-21(2)12-14/h4-7,9-12H,3,8H2,1-2H3,(H,19,23).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 35536101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).