N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride

C14H19ClN4O2 — CID 119407978

IUPACN-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)NCCCN)n2)cc1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-20-12-5-3-11(4-6-12)18-10-7-13(17-18)14(19)16-9-2-8-15;/h3-7,10H,2,8-9,15H2,1H3,(H,16,19);1H
InChIKeyNMKCCXBVZFHKLQ-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.38
Rot. Bonds6

About N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride

N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119407978) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119407978
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)NCCCN)n2)cc1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-20-12-5-3-11(4-6-12)18-10-7-13(17-18)14(19)16-9-2-8-15;/h3-7,10H,2,8-9,15H2,1H3,(H,16,19);1H
InChIKeyNMKCCXBVZFHKLQ-UHFFFAOYSA-N
XLogP1.38
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 119667825
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CID 119537008
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119608141
1-(4-methoxyphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 94605143
1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63981332
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 119575055
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231
N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
CID 19621049
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-(4-aminophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 43475362

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride (CID 119407978) is N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride is COc1ccc(-n2ccc(C(=O)NCCCN)n2)cc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is NMKCCXBVZFHKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-20-12-5-3-11(4-6-12)18-10-7-13(17-18)14(19)16-9-2-8-15;/h3-7,10H,2,8-9,15H2,1H3,(H,16,19);1H.
What are the key properties of N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119407978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).