N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride

C22H27ClN4O2 — CID 120648799

IUPACN-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(CCCN)Cc2ccccc2)n1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-17-9-10-21(28-2)20(15-17)26-14-11-19(24-26)22(27)25(13-6-12-23)16-18-7-4-3-5-8-18;/h3-5,7-11,14-15H,6,12-13,16,23H2,1-2H3;1H
InChIKeyNETJBOUPQVYFAO-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.60
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 120648799) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID120648799
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(CCCN)Cc2ccccc2)n1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-17-9-10-21(28-2)20(15-17)26-14-11-19(24-26)22(27)25(13-6-12-23)16-18-7-4-3-5-8-18;/h3-5,7-11,14-15H,6,12-13,16,23H2,1-2H3;1H
InChIKeyNETJBOUPQVYFAO-UHFFFAOYSA-N
XLogP3.60
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
N-[(3-cyanophenyl)methyl]-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 48657086
2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 119209514
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
CID 120648526
1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
N-(3-aminopropyl)-N-benzyl-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 120648431
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120649912

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride (CID 120648799) is N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride is COc1ccc(C)cc1-n1ccc(C(=O)N(CCCN)Cc2ccccc2)n1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is NETJBOUPQVYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/c1-17-9-10-21(28-2)20(15-17)26-14-11-19(24-26)22(27)25(13-6-12-23)16-18-7-4-3-5-8-18;/h3-5,7-11,14-15H,6,12-13,16,23H2,1-2H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120648799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).