N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride

C16H23ClN4O — CID 119525872

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(N)c2ccc(C(C)C)cc2)n[nH]1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-10(2)12-4-6-13(7-5-12)14(17)9-18-16(21)15-8-11(3)19-20-15;/h4-8,10,14H,9,17H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyVXKBGKNTELAGOF-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.69
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119525872) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119525872
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(N)c2ccc(C(C)C)cc2)n[nH]1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-10(2)12-4-6-13(7-5-12)14(17)9-18-16(21)15-8-11(3)19-20-15;/h4-8,10,14H,9,17H2,1-3H3,(H,18,21)(H,19,20);1H
InChIKeyVXKBGKNTELAGOF-UHFFFAOYSA-N
XLogP2.69
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
CID 119526376
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 119526828
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 119525632
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 119527283
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
4-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119526236

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119525872) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCC(N)c2ccc(C(C)C)cc2)n[nH]1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is VXKBGKNTELAGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-10(2)12-4-6-13(7-5-12)14(17)9-18-16(21)15-8-11(3)19-20-15;/h4-8,10,14H,9,17H2,1-3H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119525872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).