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

C12H16ClN5O — CID 19544017

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(CCC(=O)NCc2cnn(C)c2)cc1Cl
InChIInChI=1S/C12H16ClN5O/c1-9-11(13)8-18(16-9)4-3-12(19)14-5-10-6-15-17(2)7-10/h6-8H,3-5H2,1-2H3,(H,14,19)
InChIKeyGAGXYOVUOZWJGC-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.28
Rot. Bonds5

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

3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 19544017) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID19544017
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(CCC(=O)NCc2cnn(C)c2)cc1Cl
InChIInChI=1S/C12H16ClN5O/c1-9-11(13)8-18(16-9)4-3-12(19)14-5-10-6-15-17(2)7-10/h6-8H,3-5H2,1-2H3,(H,14,19)
InChIKeyGAGXYOVUOZWJGC-UHFFFAOYSA-N
XLogP1.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 4768899
3-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 19560397
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559737
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
3-(4-chloro-3-methylpyrazol-1-yl)-N-hexylpropanamide
CID 19543945
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19531533
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 107909826
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569715
7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride
CID 119750177
3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 19544017) is 3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is Cc1nn(CCC(=O)NCc2cnn(C)c2)cc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is GAGXYOVUOZWJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-9-11(13)8-18(16-9)4-3-12(19)14-5-10-6-15-17(2)7-10/h6-8H,3-5H2,1-2H3,(H,14,19).
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 281.75 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 19544017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).