4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride

C12H23ClN4O — CID 119725168

IUPAC4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1c(C)nn(C)c1C.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9-11(10(2)16(4)15-9)8-14-12(17)6-5-7-13-3;/h13H,5-8H2,1-4H3,(H,14,17);1H
InChIKeyVIBDXCRQKJEQCA-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.07
Rot. Bonds6

About 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride

4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride (PubChem CID 119725168) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
PubChem CID119725168
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1c(C)nn(C)c1C.Cl
InChIInChI=1S/C12H22N4O.ClH/c1-9-11(10(2)16(4)15-9)8-14-12(17)6-5-7-13-3;/h13H,5-8H2,1-4H3,(H,14,17);1H
InChIKeyVIBDXCRQKJEQCA-UHFFFAOYSA-N
XLogP1.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
CID 119731648
5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
CID 79237251
3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236452
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119433105
3-[4-(dimethylamino)phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110441139
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592059
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
2-(5-methylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282263

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride (CID 119725168) is 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride is CNCCCC(=O)NCc1c(C)nn(C)c1C.Cl.
What is the InChIKey of 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride?
The InChIKey is VIBDXCRQKJEQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-9-11(10(2)16(4)15-9)8-14-12(17)6-5-7-13-3;/h13H,5-8H2,1-4H3,(H,14,17);1H.
What are the key properties of 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride?
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119725168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).