2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C12H16ClN5O — CID 19533679

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C12H16ClN5O/c1-8-11(13)6-16-18(8)9(2)12(19)14-4-10-5-15-17(3)7-10/h5-7,9H,4H2,1-3H3,(H,14,19)
InChIKeyPBHYZUGGGXYPBH-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 19533679) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID19533679
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1c(Cl)cnn1C(C)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C12H16ClN5O/c1-8-11(13)6-16-18(8)9(2)12(19)14-4-10-5-15-17(3)7-10/h5-7,9H,4H2,1-3H3,(H,14,19)
InChIKeyPBHYZUGGGXYPBH-UHFFFAOYSA-N
XLogP1.46
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19537248
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
2-(3-methyl-4-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19533089
(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 104903310
[4-methyl-1-[(1-methylpyrazol-4-yl)methylamino]-1-oxopentan-2-yl]carbamic acid
CID 170170313
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106
(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 119750202
2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19533698
(2S)-2-(4-chloro-5-methylpyrazol-1-yl)propanoic acid
CID 7026044
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533594
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19544017

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 19533679) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is Cc1c(Cl)cnn1C(C)C(=O)NCc1cnn(C)c1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is PBHYZUGGGXYPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-8-11(13)6-16-18(8)9(2)12(19)14-4-10-5-15-17(3)7-10/h5-7,9H,4H2,1-3H3,(H,14,19).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 281.75 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 19533679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).