4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide

C13H20N4O — CID 62076228

IUPAC4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C13H20N4O/c1-5-7-17(8-6-2)13(18)12-10(14)11(9(3)4)15-16-12/h5-6,9H,1-2,7-8,14H2,3-4H3,(H,15,16)
InChIKeyDMABVEDXKFZYKY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.93
Rot. Bonds6

About 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide

4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide (PubChem CID 62076228) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide
PubChem CID62076228
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide
SMILESC=CCN(CC=C)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C13H20N4O/c1-5-7-17(8-6-2)13(18)12-10(14)11(9(3)4)15-16-12/h5-6,9H,1-2,7-8,14H2,3-4H3,(H,15,16)
InChIKeyDMABVEDXKFZYKY-UHFFFAOYSA-N
XLogP1.93
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide (CID 62076228) is 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide is C=CCN(CC=C)C(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DMABVEDXKFZYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-5-7-17(8-6-2)13(18)12-10(14)11(9(3)4)15-16-12/h5-6,9H,1-2,7-8,14H2,3-4H3,(H,15,16).
What are the key properties of 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide?
4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).