ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate

C10H15N3O3 — CID 60788161

IUPACethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O3/c1-2-16-9(14)4-3-5-11-10(15)8-6-12-13-7-8/h6-7H,2-5H2,1H3,(H,11,15)(H,12,13)
InChIKeyJTWUOUWSASUKAX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.48
Rot. Bonds6

About ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate

ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate (PubChem CID 60788161) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
PubChem CID60788161
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O3/c1-2-16-9(14)4-3-5-11-10(15)8-6-12-13-7-8/h6-7H,2-5H2,1H3,(H,11,15)(H,12,13)
InChIKeyJTWUOUWSASUKAX-UHFFFAOYSA-N
XLogP0.48
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate
CID 115694518
ethyl 3-oxo-3-(1H-pyrazol-4-yl)propanoate
CID 22925068
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-carboxamide
CID 61037227
ethyl 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]butanoate
CID 78785631
N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
ethyl 4-[(3-chloro-5-methylbenzoyl)amino]butanoate
CID 80980209
ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
CID 23657410
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate?
The IUPAC name of ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate (CID 60788161) is ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate.
What is the SMILES notation for ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate?
The canonical SMILES for ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate is CCOC(=O)CCCNC(=O)c1cn[nH]c1.
What is the InChIKey of ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate?
The InChIKey is JTWUOUWSASUKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-16-9(14)4-3-5-11-10(15)8-6-12-13-7-8/h6-7H,2-5H2,1H3,(H,11,15)(H,12,13).
What are the key properties of ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate?
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate has a molecular weight of 225.25 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate is sourced from PubChem (CID 60788161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).