N,5-di(propan-2-yl)-1H-pyrazol-3-amine

C9H17N3 — CID 63048486

IUPACN,5-di(propan-2-yl)-1H-pyrazol-3-amine
SMILESCC(C)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C9H17N3/c1-6(2)8-5-9(12-11-8)10-7(3)4/h5-7H,1-4H3,(H2,10,11,12)
InChIKeyZDLUMFFAUNOBML-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.35
Rot. Bonds3

About N,5-di(propan-2-yl)-1H-pyrazol-3-amine

N,5-di(propan-2-yl)-1H-pyrazol-3-amine (PubChem CID 63048486) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,5-di(propan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,5-di(propan-2-yl)-1H-pyrazol-3-amine
PubChem CID63048486
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,5-di(propan-2-yl)-1H-pyrazol-3-amine
SMILESCC(C)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C9H17N3/c1-6(2)8-5-9(12-11-8)10-7(3)4/h5-7H,1-4H3,(H2,10,11,12)
InChIKeyZDLUMFFAUNOBML-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-di(propan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of N,5-di(propan-2-yl)-1H-pyrazol-3-amine (CID 63048486) is N,5-di(propan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N,5-di(propan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N,5-di(propan-2-yl)-1H-pyrazol-3-amine is CC(C)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of N,5-di(propan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is ZDLUMFFAUNOBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)8-5-9(12-11-8)10-7(3)4/h5-7H,1-4H3,(H2,10,11,12).
What are the key properties of N,5-di(propan-2-yl)-1H-pyrazol-3-amine?
N,5-di(propan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-di(propan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63048486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).