N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride

C16H23ClN4O — CID 119694776

IUPACN,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-13(9-17-2)16(21)19(3)11-14-10-18-20(12-14)15-7-5-4-6-8-15;/h4-8,10,12-13,17H,9,11H2,1-3H3;1H
InChIKeyGJBPASGLGVYFLY-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.11
Rot. Bonds6

About N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride

N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride (PubChem CID 119694776) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
PubChem CID119694776
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(C)Cc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-13(9-17-2)16(21)19(3)11-14-10-18-20(12-14)15-7-5-4-6-8-15;/h4-8,10,12-13,17H,9,11H2,1-3H3;1H
InChIKeyGJBPASGLGVYFLY-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950804
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CID 134037922
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-[3-methyl-1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51237828
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,2-dimethyl-3-(methylamino)-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119689520
N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 134036770
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 55429046
2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 17419291
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide
CID 51237834

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride?
The IUPAC name of N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride (CID 119694776) is N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride is CNCC(C)C(=O)N(C)Cc1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride?
The InChIKey is GJBPASGLGVYFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-13(9-17-2)16(21)19(3)11-14-10-18-20(12-14)15-7-5-4-6-8-15;/h4-8,10,12-13,17H,9,11H2,1-3H3;1H.
What are the key properties of N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride?
N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119694776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).