N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine

C8H17N3 — CID 139986787

IUPACN-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1C=CNN1C
InChIInChI=1S/C8H17N3/c1-7(2)9-6-8-4-5-10-11(8)3/h4-5,7-10H,6H2,1-3H3
InChIKeyXRXMJPJGISZZOG-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.32
Rot. Bonds3

About N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine

N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine (PubChem CID 139986787) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine
PubChem CID139986787
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1C=CNN1C
InChIInChI=1S/C8H17N3/c1-7(2)9-6-8-4-5-10-11(8)3/h4-5,7-10H,6H2,1-3H3
InChIKeyXRXMJPJGISZZOG-UHFFFAOYSA-N
XLogP0.32
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine (CID 139986787) is N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine is CC(C)NCC1C=CNN1C.
What is the InChIKey of N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine?
The InChIKey is XRXMJPJGISZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(2)9-6-8-4-5-10-11(8)3/h4-5,7-10H,6H2,1-3H3.
What are the key properties of N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine?
N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine has a molecular weight of 155.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dihydropyrazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 139986787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).