4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine

C14H19ClN4 — CID 61449270

IUPAC4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine
SMILESCCN(Cc1ccncc1)c1c(CCl)c(C)nn1C
InChIInChI=1S/C14H19ClN4/c1-4-19(10-12-5-7-16-8-6-12)14-13(9-15)11(2)17-18(14)3/h5-8H,4,9-10H2,1-3H3
InChIKeyZFVRCBXRRFKCJR-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.89
Rot. Bonds5

About 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine

4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine (PubChem CID 61449270) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine
PubChem CID61449270
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine
SMILESCCN(Cc1ccncc1)c1c(CCl)c(C)nn1C
InChIInChI=1S/C14H19ClN4/c1-4-19(10-12-5-7-16-8-6-12)14-13(9-15)11(2)17-18(14)3/h5-8H,4,9-10H2,1-3H3
InChIKeyZFVRCBXRRFKCJR-UHFFFAOYSA-N
XLogP2.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61437184
N-[(2-bromophenyl)methyl]-4-(chloromethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416100
4-(chloromethyl)-N,1,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazol-5-amine
CID 63013984
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(3-methylphenyl)pyrazol-5-amine
CID 61077307
[5-(diethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 28963363
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 61447677
3-[[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]benzonitrile
CID 62980819
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 62979740
4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine
CID 79483802
4-(aminomethyl)-N-ethyl-1,3-dimethyl-N-propylpyrazol-5-amine
CID 43268986
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
CID 55011827

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine (CID 61449270) is 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine is CCN(Cc1ccncc1)c1c(CCl)c(C)nn1C.
What is the InChIKey of 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine?
The InChIKey is ZFVRCBXRRFKCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-19(10-12-5-7-16-8-6-12)14-13(9-15)11(2)17-18(14)3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine?
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine has a molecular weight of 278.79 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 61449270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).