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

C9H17N3 — CID 60999178

IUPACN-(1H-pyrazol-4-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCc1cn[nH]c1
InChIInChI=1S/C9H17N3/c1-3-4-8(2)10-5-9-6-11-12-7-9/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeySNLMMESDURPAMX-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.69
Rot. Bonds5

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

N-(1H-pyrazol-4-ylmethyl)pentan-2-amine (PubChem CID 60999178) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)pentan-2-amine
PubChem CID60999178
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-(1H-pyrazol-4-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCc1cn[nH]c1
InChIInChI=1S/C9H17N3/c1-3-4-8(2)10-5-9-6-11-12-7-9/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeySNLMMESDURPAMX-UHFFFAOYSA-N
XLogP1.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.69
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)pentan-2-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)pentan-2-amine (CID 60999178) is N-(1H-pyrazol-4-ylmethyl)pentan-2-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)pentan-2-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)pentan-2-amine is CCCC(C)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)pentan-2-amine?
The InChIKey is SNLMMESDURPAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-4-8(2)10-5-9-6-11-12-7-9/h6-8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)pentan-2-amine?
N-(1H-pyrazol-4-ylmethyl)pentan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.69, 5 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)pentan-2-amine is sourced from PubChem (CID 60999178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).