N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine

C14H24N4 — CID 137022497

IUPACN,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine
SMILES[H]/N=C(\C=C(/C)CC)c1c(C)nn(C(C)C)c1NC
InChIInChI=1S/C14H24N4/c1-7-10(4)8-12(15)13-11(5)17-18(9(2)3)14(13)16-6/h8-9,15-16H,7H2,1-6H3/b10-8+,15-12+
InChIKeyBEXJDBNWRSKDPJ-VBONDNGNSA-N
MW248.37 g/mol
LogP3.54
Rot. Bonds5

About N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine

N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine (PubChem CID 137022497) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine
PubChem CID137022497
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine
SMILES[H]/N=C(\C=C(/C)CC)c1c(C)nn(C(C)C)c1NC
InChIInChI=1S/C14H24N4/c1-7-10(4)8-12(15)13-11(5)17-18(9(2)3)14(13)16-6/h8-9,15-16H,7H2,1-6H3/b10-8+,15-12+
InChIKeyBEXJDBNWRSKDPJ-VBONDNGNSA-N
XLogP3.54
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine
CID 71577603
Pyrazole, 5-amino-3-ethyl-1-isopropyl-4-methyl-
CID 210142
4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine
CID 6484241
4-ethyl-N,N,1,3-tetramethylpyrazol-5-amine
CID 68381580
4-(2-aminoethyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55235807
4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63782577
4-(2-aminoethyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63785168
4-(2-aminoethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63786492
4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63787175
4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63794366
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63794490
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63795577

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine (CID 137022497) is N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine is [H]/N=C(\C=C(/C)CC)c1c(C)nn(C(C)C)c1NC.
What is the InChIKey of N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine?
The InChIKey is BEXJDBNWRSKDPJ-VBONDNGNSA-N. The full InChI is InChI=1S/C14H24N4/c1-7-10(4)8-12(15)13-11(5)17-18(9(2)3)14(13)16-6/h8-9,15-16H,7H2,1-6H3/b10-8+,15-12+.
What are the key properties of N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine?
N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine has a molecular weight of 248.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[(E)-3-methylpent-2-enimidoyl]-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 137022497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).