N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide

C15H20N4O — CID 102802495

IUPACN-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-11-13(9-19(3)18-11)14(20)17-15(2,10-16)12-7-5-4-6-8-12/h4-9H,10,16H2,1-3H3,(H,17,20)
InChIKeyXMEZEEQGWIYVOV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.33
Rot. Bonds4

About N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide

N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102802495) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102802495
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(C)(CN)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-11-13(9-19(3)18-11)14(20)17-15(2,10-16)12-7-5-4-6-8-12/h4-9H,10,16H2,1-3H3,(H,17,20)
InChIKeyXMEZEEQGWIYVOV-UHFFFAOYSA-N
XLogP1.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060348
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397
N-(1-amino-2-phenylpropan-2-yl)-2-methylfuran-3-carboxamide
CID 105060475
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119568953
N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105060436
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 103790736
N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 105060410
4-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 103790571
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361
4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 105057664
1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-3-phenylthiourea
CID 842923

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide (CID 102802495) is N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NC(C)(CN)c1ccccc1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is XMEZEEQGWIYVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-13(9-19(3)18-11)14(20)17-15(2,10-16)12-7-5-4-6-8-12/h4-9H,10,16H2,1-3H3,(H,17,20).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide?
N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102802495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).