4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide

C13H20N4O2 — CID 103338385

IUPAC4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
SMILESC=CCN(CCOC)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C13H20N4O2/c1-3-6-17(7-8-19-2)13(18)12-10(14)11(15-16-12)9-4-5-9/h3,9H,1,4-8,14H2,2H3,(H,15,16)
InChIKeyNRURORXNQPAGJT-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.14
Rot. Bonds7

About 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide (PubChem CID 103338385) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
PubChem CID103338385
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
SMILESC=CCN(CCOC)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C13H20N4O2/c1-3-6-17(7-8-19-2)13(18)12-10(14)11(15-16-12)9-4-5-9/h3,9H,1,4-8,14H2,2H3,(H,15,16)
InChIKeyNRURORXNQPAGJT-UHFFFAOYSA-N
XLogP1.14
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-cyclopropyl-N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-3-carboxamide
CID 102990884
N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 103339974
5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide
CID 166309180
2-amino-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 103338894
4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide
CID 62076228
4-amino-N-butyl-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62075477
4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62080467
4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
CID 62077444
4-amino-5-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62079719
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
4-amino-N,5-dicyclopropyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide
CID 62078982
4-amino-5-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 62079159

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide (CID 103338385) is 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide is C=CCN(CCOC)C(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide?
The InChIKey is NRURORXNQPAGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-6-17(7-8-19-2)13(18)12-10(14)11(15-16-12)9-4-5-9/h3,9H,1,4-8,14H2,2H3,(H,15,16).
What are the key properties of 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(2-methoxyethyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 103338385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).