1,5-di(propan-2-yl)pyrazol-4-amine

C9H17N3 — CID 66442434

IUPAC1,5-di(propan-2-yl)pyrazol-4-amine
SMILESCC(C)c1c(N)cnn1C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)9-8(10)5-11-12(9)7(3)4/h5-7H,10H2,1-4H3
InChIKeyMVIQLJYWJDSZLQ-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.17
Rot. Bonds2

About 1,5-di(propan-2-yl)pyrazol-4-amine

1,5-di(propan-2-yl)pyrazol-4-amine (PubChem CID 66442434) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1,5-di(propan-2-yl)pyrazol-4-amine
PubChem CID66442434
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1,5-di(propan-2-yl)pyrazol-4-amine
SMILESCC(C)c1c(N)cnn1C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)9-8(10)5-11-12(9)7(3)4/h5-7H,10H2,1-4H3
InChIKeyMVIQLJYWJDSZLQ-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1,5-di(propan-2-yl)pyrazol-4-yl]methanamine
CID 66440927
5-tert-butyl-1-propan-2-ylpyrazol-4-amine
CID 105439735
1,5-di(propan-2-yl)pyrazole-4-carbaldehyde
CID 21097231
4-cyclopropyl-1,5-di(propan-2-yl)pyrazole
CID 168800092
1-phenyl-5-propan-2-ylpyrazol-4-amine
CID 66424131
4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole
CID 162378326
1-cyclopentyl-5-propan-2-ylpyrazol-4-amine
CID 66440021
1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine
CID 66441034
methyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219177
1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine
CID 105481338
1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone
CID 119054332
ethyl 4-amino-1-propan-2-ylpyrazole-5-carboxylate
CID 117219180

Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)pyrazol-4-amine?
The IUPAC name of 1,5-di(propan-2-yl)pyrazol-4-amine (CID 66442434) is 1,5-di(propan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1,5-di(propan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1,5-di(propan-2-yl)pyrazol-4-amine is CC(C)c1c(N)cnn1C(C)C.
What is the InChIKey of 1,5-di(propan-2-yl)pyrazol-4-amine?
The InChIKey is MVIQLJYWJDSZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)9-8(10)5-11-12(9)7(3)4/h5-7H,10H2,1-4H3.
What are the key properties of 1,5-di(propan-2-yl)pyrazol-4-amine?
1,5-di(propan-2-yl)pyrazol-4-amine has a molecular weight of 167.26 g/mol, XLogP of 2.17, 2 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-amine is sourced from PubChem (CID 66442434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).