N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide

C10H16N4O2 — CID 141081196

IUPACN-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)n1cccn1
InChIInChI=1S/C10H16N4O2/c1-8(2)9(15)11-5-6-12-10(16)14-7-3-4-13-14/h3-4,7-8H,5-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyJTXHESDHPNSFLC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.21
Rot. Bonds4

About N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide

N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide (PubChem CID 141081196) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide
PubChem CID141081196
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)n1cccn1
InChIInChI=1S/C10H16N4O2/c1-8(2)9(15)11-5-6-12-10(16)14-7-3-4-13-14/h3-4,7-8H,5-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyJTXHESDHPNSFLC-UHFFFAOYSA-N
XLogP0.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.21
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

N-(2-aminoethyl)pyrazole-1-carboxamide
CID 141081184
N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide
CID 141081208
N-[2-(dimethylamino)ethyl]pyrazole-1-carboxamide
CID 141081181
N-pentylpyrazole-1-carboxamide
CID 134846837
N-methylpyrazole-1-carboxamide;propane
CID 90891150
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
2-(butylamino)-1-pyrazol-1-ylpropan-1-one
CID 141299758
2-amino-1-pyrazol-1-ylpropan-1-one
CID 76503480
N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 107710460
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
N-[2-(3-aminopropanoylamino)ethyl]-2-methylpropanamide
CID 61247750
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide?
The IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide (CID 141081196) is N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide is CC(C)C(=O)NCCNC(=O)n1cccn1.
What is the InChIKey of N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide?
The InChIKey is JTXHESDHPNSFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8(2)9(15)11-5-6-12-10(16)14-7-3-4-13-14/h3-4,7-8H,5-6H2,1-2H3,(H,11,15)(H,12,16).
What are the key properties of N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide?
N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide is sourced from PubChem (CID 141081196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).