3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine

C9H17N3 — CID 43547378

IUPAC3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCC(C)C
InChIInChI=1S/C9H17N3/c1-6(2)5-10-9-7(3)11-12-8(9)4/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyDEYJGMKIOVZHRM-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.09
Rot. Bonds3

About 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine

3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine (PubChem CID 43547378) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine
PubChem CID43547378
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCC(C)C
InChIInChI=1S/C9H17N3/c1-6(2)5-10-9-7(3)11-12-8(9)4/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyDEYJGMKIOVZHRM-UHFFFAOYSA-N
XLogP2.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine (CID 43547378) is 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCC(C)C.
What is the InChIKey of 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine?
The InChIKey is DEYJGMKIOVZHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)5-10-9-7(3)11-12-8(9)4/h6,10H,5H2,1-4H3,(H,11,12).
What are the key properties of 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine?
3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine has a molecular weight of 167.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43547378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).