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

C8H15N3 — CID 176568498

IUPACN-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
SMILESCC(C)N(C)Cc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-7(2)11(3)6-8-4-9-10-5-8/h4-5,7H,6H2,1-3H3,(H,9,10)
InChIKeyNFQCKQWIMXPSKS-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.25
Rot. Bonds3

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

N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine (PubChem CID 176568498) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
PubChem CID176568498
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
SMILESCC(C)N(C)Cc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-7(2)11(3)6-8-4-9-10-5-8/h4-5,7H,6H2,1-3H3,(H,9,10)
InChIKeyNFQCKQWIMXPSKS-UHFFFAOYSA-N
XLogP1.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine (CID 176568498) is N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine is CC(C)N(C)Cc1cn[nH]c1.
What is the InChIKey of N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
The InChIKey is NFQCKQWIMXPSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)11(3)6-8-4-9-10-5-8/h4-5,7H,6H2,1-3H3,(H,9,10).
What are the key properties of N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine?
N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 176568498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).