[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine

C10H19N3 — CID 66440927

IUPAC[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
SMILESCC(C)c1c(CN)cnn1C(C)C
InChIInChI=1S/C10H19N3/c1-7(2)10-9(5-11)6-12-13(10)8(3)4/h6-8H,5,11H2,1-4H3
InChIKeyZHPDMTRVBGMJCY-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.05
Rot. Bonds3

About [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine

[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine (PubChem CID 66440927) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
PubChem CID66440927
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
SMILESCC(C)c1c(CN)cnn1C(C)C
InChIInChI=1S/C10H19N3/c1-7(2)10-9(5-11)6-12-13(10)8(3)4/h6-8H,5,11H2,1-4H3
InChIKeyZHPDMTRVBGMJCY-UHFFFAOYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-propan-2-ylpyrazol-5-amine
CID 115069507
(5-fluoro-1-propan-2-ylpyrazol-4-yl)methanamine
CID 115012224
1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine
CID 105481338
1,5-di(propan-2-yl)pyrazol-4-amine
CID 66442434
2-[4-(aminomethyl)-5-propan-2-ylpyrazol-1-yl]-N,N-dimethylethanamine
CID 66439965
[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440251
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937
[5-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]methanol
CID 66436590
[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66442606
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076
[5-(3-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methanamine
CID 105487158
1,5-di(propan-2-yl)pyrazole-4-carbaldehyde
CID 21097231

Frequently Asked Questions

What is the IUPAC name of [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine?
The IUPAC name of [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine (CID 66440927) is [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine is CC(C)c1c(CN)cnn1C(C)C.
What is the InChIKey of [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine?
The InChIKey is ZHPDMTRVBGMJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)10-9(5-11)6-12-13(10)8(3)4/h6-8H,5,11H2,1-4H3.
What are the key properties of [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine?
[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine has a molecular weight of 181.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-di(propan-2-yl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 66440927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).