2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide

C8H14N4O — CID 43148314

IUPAC2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CC(CN)C(N)=O)cn1
InChIInChI=1S/C8H14N4O/c1-12-5-6(4-11-12)2-7(3-9)8(10)13/h4-5,7H,2-3,9H2,1H3,(H2,10,13)
InChIKeyJITUXOPBZZPCTO-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.98
Rot. Bonds4

About 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide

2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 43148314) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID43148314
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CC(CN)C(N)=O)cn1
InChIInChI=1S/C8H14N4O/c1-12-5-6(4-11-12)2-7(3-9)8(10)13/h4-5,7H,2-3,9H2,1H3,(H2,10,13)
InChIKeyJITUXOPBZZPCTO-UHFFFAOYSA-N
XLogP-0.98
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 43148314) is 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CC(CN)C(N)=O)cn1.
What is the InChIKey of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is JITUXOPBZZPCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-5-6(4-11-12)2-7(3-9)8(10)13/h4-5,7H,2-3,9H2,1H3,(H2,10,13).
What are the key properties of 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide?
2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 43148314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).