4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H22N4O — CID 63010551

IUPAC4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C16H22N4O/c1-10(2)14-13(17)15(20-19-14)16(21)18-11(3)9-12-7-5-4-6-8-12/h4-8,10-11H,9,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeySLLDVEYIFLBOIF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.48
Rot. Bonds5

About 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 63010551) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID63010551
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C16H22N4O/c1-10(2)14-13(17)15(20-19-14)16(21)18-11(3)9-12-7-5-4-6-8-12/h4-8,10-11H,9,17H2,1-3H3,(H,18,21)(H,19,20)
InChIKeySLLDVEYIFLBOIF-UHFFFAOYSA-N
XLogP2.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-phenylbutan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560954
4-amino-N-[1-(2-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076562
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077044
4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076742
6-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 63010622
4-amino-N-[1-(3-fluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076746
4-amino-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076883
4-amino-N-(2-hydroxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076723
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076553
5-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 81317136
4-amino-N-(2-ethoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077048
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 63010551) is 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(Cc1ccccc1)NC(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is SLLDVEYIFLBOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)14-13(17)15(20-19-14)16(21)18-11(3)9-12-7-5-4-6-8-12/h4-8,10-11H,9,17H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-phenylpropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63010551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).