N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide

C13H18N6O — CID 74546278

IUPACN-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide
SMILESO=C(NCCCn1nnc2ccccc21)C1CCNN1
InChIInChI=1S/C13H18N6O/c20-13(11-6-8-15-16-11)14-7-3-9-19-12-5-2-1-4-10(12)17-18-19/h1-2,4-5,11,15-16H,3,6-9H2,(H,14,20)
InChIKeyGUHHDOWVBKOQPE-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.20
Rot. Bonds5

About N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide

N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide (PubChem CID 74546278) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide
PubChem CID74546278
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide
SMILESO=C(NCCCn1nnc2ccccc21)C1CCNN1
InChIInChI=1S/C13H18N6O/c20-13(11-6-8-15-16-11)14-7-3-9-19-12-5-2-1-4-10(12)17-18-19/h1-2,4-5,11,15-16H,3,6-9H2,(H,14,20)
InChIKeyGUHHDOWVBKOQPE-UHFFFAOYSA-N
XLogP-0.20
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzotriazol-1-yl)propyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72865183
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[3-(benzotriazol-1-yl)propyl]propanamide
CID 134127687
N-[3-(benzotriazol-1-yl)propyl]-2-morpholin-3-ylacetamide;hydrochloride
CID 154892791
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
N-[3-(benzotriazol-1-yl)propyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95136208
(3S)-N-[3-(benzotriazol-1-yl)propyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97204734
N-[3-(benzotriazol-1-yl)propyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 56914464
N-[3-(benzotriazol-1-yl)propyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97444802
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
18-(benzotriazol-1-yl)octadecanoic acid
CID 19873915
N-[3-(benzotriazol-1-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74232653
1-[3-(benzotriazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 72920930

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide (CID 74546278) is N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide is O=C(NCCCn1nnc2ccccc21)C1CCNN1.
What is the InChIKey of N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide?
The InChIKey is GUHHDOWVBKOQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c20-13(11-6-8-15-16-11)14-7-3-9-19-12-5-2-1-4-10(12)17-18-19/h1-2,4-5,11,15-16H,3,6-9H2,(H,14,20).
What are the key properties of N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide?
N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzotriazol-1-yl)propyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 74546278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).