N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine

C9H17N3 — CID 62080565

IUPACN-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine
SMILESCCc1cc(CNC(C)C)[nH]n1
InChIInChI=1S/C9H17N3/c1-4-8-5-9(12-11-8)6-10-7(2)3/h5,7,10H,4,6H2,1-3H3,(H,11,12)
InChIKeyMPCSPEDSMRLOAY-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.47
Rot. Bonds4

About N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine

N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine (PubChem CID 62080565) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine
PubChem CID62080565
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine
SMILESCCc1cc(CNC(C)C)[nH]n1
InChIInChI=1S/C9H17N3/c1-4-8-5-9(12-11-8)6-10-7(2)3/h5,7,10H,4,6H2,1-3H3,(H,11,12)
InChIKeyMPCSPEDSMRLOAY-UHFFFAOYSA-N
XLogP1.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine (CID 62080565) is N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine is CCc1cc(CNC(C)C)[nH]n1.
What is the InChIKey of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine?
The InChIKey is MPCSPEDSMRLOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-8-5-9(12-11-8)6-10-7(2)3/h5,7,10H,4,6H2,1-3H3,(H,11,12).
What are the key properties of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine?
N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 62080565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).