N-(1H-pyrazol-4-ylmethyl)propan-2-amine

C7H13N3 — CID 61000273

IUPACN-(1H-pyrazol-4-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cn[nH]c1
InChIInChI=1S/C7H13N3/c1-6(2)8-3-7-4-9-10-5-7/h4-6,8H,3H2,1-2H3,(H,9,10)
InChIKeyWFMVAUNSCGANSE-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.91
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)propan-2-amine

N-(1H-pyrazol-4-ylmethyl)propan-2-amine (PubChem CID 61000273) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)propan-2-amine
PubChem CID61000273
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-(1H-pyrazol-4-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cn[nH]c1
InChIInChI=1S/C7H13N3/c1-6(2)8-3-7-4-9-10-5-7/h4-6,8H,3H2,1-2H3,(H,9,10)
InChIKeyWFMVAUNSCGANSE-UHFFFAOYSA-N
XLogP0.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)propan-2-amine (CID 61000273) is N-(1H-pyrazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)propan-2-amine is CC(C)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The InChIKey is WFMVAUNSCGANSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)8-3-7-4-9-10-5-7/h4-6,8H,3H2,1-2H3,(H,9,10).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
N-(1H-pyrazol-4-ylmethyl)propan-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 61000273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).