(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide

C17H19N5O — CID 100830781

IUPAC(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1ccn(C)n1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H19N5O/c1-13(17(23)18-11-16-8-9-21(2)20-16)22-12-15(10-19-22)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,18,23)/t13-/m0/s1
InChIKeyJLCITVVVZWEHNT-ZDUSSCGKSA-N
MW309.37 g/mol
LogP2.16
Rot. Bonds5

About (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide

(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide (PubChem CID 100830781) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide
PubChem CID100830781
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1ccn(C)n1)n1cc(-c2ccccc2)cn1
InChIInChI=1S/C17H19N5O/c1-13(17(23)18-11-16-8-9-21(2)20-16)22-12-15(10-19-22)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,18,23)/t13-/m0/s1
InChIKeyJLCITVVVZWEHNT-ZDUSSCGKSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723
N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 110210706
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-[4-(2-aminophenyl)pyrazol-1-yl]-N-ethylpropanamide
CID 63338077
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
(2R)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938376
(2S)-N-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938375
(2R)-N-(4-methylphenyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 124938415
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487657
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide (CID 100830781) is (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide is C[C@@H](C(=O)NCc1ccn(C)n1)n1cc(-c2ccccc2)cn1.
What is the InChIKey of (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide?
The InChIKey is JLCITVVVZWEHNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13(17(23)18-11-16-8-9-21(2)20-16)22-12-15(10-19-22)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,18,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide?
(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-methylpyrazol-3-yl)methyl]-2-(4-phenylpyrazol-1-yl)propanamide is sourced from PubChem (CID 100830781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).