4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine

C17H22ClN3 — CID 63954999

IUPAC4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine
SMILESCCN(CC1CC1)c1c(CCl)c(C)nn1-c1ccccc1
InChIInChI=1S/C17H22ClN3/c1-3-20(12-14-9-10-14)17-16(11-18)13(2)19-21(17)15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3
InChIKeyNWIMJFXAGDZRNP-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.16
Rot. Bonds6

About 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine

4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine (PubChem CID 63954999) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine
PubChem CID63954999
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine
SMILESCCN(CC1CC1)c1c(CCl)c(C)nn1-c1ccccc1
InChIInChI=1S/C17H22ClN3/c1-3-20(12-14-9-10-14)17-16(11-18)13(2)19-21(17)15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3
InChIKeyNWIMJFXAGDZRNP-UHFFFAOYSA-N
XLogP4.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N,3-dimethyl-N-(oxolan-3-yl)-1-phenylpyrazol-5-amine
CID 82730439
4-(chloromethyl)-3-methyl-1-phenyl-N-propan-2-yl-N-propylpyrazol-5-amine
CID 43269808
5-[cyclopropylmethyl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 60984635
4-(2-aminoethyl)-N-ethyl-3-methyl-1-phenyl-N-propylpyrazol-5-amine
CID 63783051
3-[[4-(chloromethyl)-3-methyl-1-phenylpyrazol-5-yl]-methylamino]propanenitrile
CID 28964428
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 43281591
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
N-(2-aminoethyl)-N-(cyclopropylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 167820118
2-[[4-(bromomethyl)-3-methyl-1-phenylpyrazol-5-yl]-(cyanomethyl)amino]acetonitrile
CID 107079192
4-(bromomethyl)-N-(1-cyclopropylethyl)-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 107080390
(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(cyclopropylmethyl)-N-ethylprop-2-enamide
CID 86939441
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine (CID 63954999) is 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine is CCN(CC1CC1)c1c(CCl)c(C)nn1-c1ccccc1.
What is the InChIKey of 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine?
The InChIKey is NWIMJFXAGDZRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-20(12-14-9-10-14)17-16(11-18)13(2)19-21(17)15-7-5-4-6-8-15/h4-8,14H,3,9-12H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine?
4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine has a molecular weight of 303.84 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 63954999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).