N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide

C11H16N4O2 — CID 31364847

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCNC(=O)C2CC2)cn1
InChIInChI=1S/C11H16N4O2/c1-15-7-9(6-14-15)11(17)13-5-4-12-10(16)8-2-3-8/h6-8H,2-5H2,1H3,(H,12,16)(H,13,17)
InChIKeyLBQKZGXMALJDGM-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.32
Rot. Bonds5

About N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 31364847) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID31364847
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCNC(=O)C2CC2)cn1
InChIInChI=1S/C11H16N4O2/c1-15-7-9(6-14-15)11(17)13-5-4-12-10(16)8-2-3-8/h6-8H,2-5H2,1H3,(H,12,16)(H,13,17)
InChIKeyLBQKZGXMALJDGM-UHFFFAOYSA-N
XLogP-0.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.32
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-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
CID 107321851
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide
CID 115628402
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
CID 115700182
N-(5-bromo-4-methylpentyl)-1-methylpyrazole-4-carboxamide
CID 106157531
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide
CID 134801894
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726445
1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 39554190
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide (CID 31364847) is N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCNC(=O)C2CC2)cn1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is LBQKZGXMALJDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-7-9(6-14-15)11(17)13-5-4-12-10(16)8-2-3-8/h6-8H,2-5H2,1H3,(H,12,16)(H,13,17).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 31364847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).