N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C16H17ClN4 — CID 104730342

IUPACN-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCc3ccc(Cl)cc3)nccn2n1
InChIInChI=1S/C16H17ClN4/c1-11(2)14-9-15-16(18-7-8-21(15)20-14)19-10-12-3-5-13(17)6-4-12/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyUVVKAKTXXMTFLL-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.12
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730342) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730342
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCc3ccc(Cl)cc3)nccn2n1
InChIInChI=1S/C16H17ClN4/c1-11(2)14-9-15-16(18-7-8-21(15)20-14)19-10-12-3-5-13(17)6-4-12/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyUVVKAKTXXMTFLL-UHFFFAOYSA-N
XLogP4.12
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730531
2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730829
N-(1H-imidazol-2-ylmethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731628
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
CID 104730160
N-[[4-(chloromethyl)phenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 107233154
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
N,2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104732791
N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731011
1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
N-(2-methoxy-2-methylpropyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104762524
N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731980
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104730342) is N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NCc3ccc(Cl)cc3)nccn2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is UVVKAKTXXMTFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-11(2)14-9-15-16(18-7-8-21(15)20-14)19-10-12-3-5-13(17)6-4-12/h3-9,11H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 300.79 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).