3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

C10H18N4O — CID 54593500

IUPAC3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CCN
InChIInChI=1S/C10H18N4O/c1-8-9(7-13-14-8)3-2-6-12-10(15)4-5-11/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyAOQQSRJQTABFLE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.12
Rot. Bonds6

About 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (PubChem CID 54593500) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
PubChem CID54593500
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CCN
InChIInChI=1S/C10H18N4O/c1-8-9(7-13-14-8)3-2-6-12-10(15)4-5-11/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyAOQQSRJQTABFLE-UHFFFAOYSA-N
XLogP0.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (CID 54593500) is 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is Cc1[nH]ncc1CCCNC(=O)CCN.
What is the InChIKey of 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The InChIKey is AOQQSRJQTABFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-9(7-13-14-8)3-2-6-12-10(15)4-5-11/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 54593500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).