N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

C19H23ClN4O — CID 120567632

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)NC(CN)c2ccc3ccccc3c2)n[nH]1.Cl
InChIInChI=1S/C19H22N4O.ClH/c1-12(2)16-10-17(23-22-16)19(24)21-18(11-20)15-8-7-13-5-3-4-6-14(13)9-15;/h3-10,12,18H,11,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyDOGQCBSGZZSLQG-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.54
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 120567632) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID120567632
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)NC(CN)c2ccc3ccccc3c2)n[nH]1.Cl
InChIInChI=1S/C19H22N4O.ClH/c1-12(2)16-10-17(23-22-16)19(24)21-18(11-20)15-8-7-13-5-3-4-6-14(13)9-15;/h3-10,12,18H,11,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyDOGQCBSGZZSLQG-UHFFFAOYSA-N
XLogP3.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 60520737
N-(2-amino-1-naphthalen-2-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 122081229
3-(4-bromophenyl)-3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 119188731
N-[(1S)-1-naphthalen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38619235
N-[(1R)-2-amino-1-naphthalen-2-ylethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 170899336
N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119613012
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
N-(2-amino-1-naphthalen-2-ylethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120567750
N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120567521

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 120567632) is N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)c1cc(C(=O)NC(CN)c2ccc3ccccc3c2)n[nH]1.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is DOGQCBSGZZSLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.ClH/c1-12(2)16-10-17(23-22-16)19(24)21-18(11-20)15-8-7-13-5-3-4-6-14(13)9-15;/h3-10,12,18H,11,20H2,1-2H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120567632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).