1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine

C14H19ClN4 — CID 114660043

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
SMILESCCc1cccnc1C(NC)c1c(Cl)cnn1CC
InChIInChI=1S/C14H19ClN4/c1-4-10-7-6-8-17-12(10)13(16-3)14-11(15)9-18-19(14)5-2/h6-9,13,16H,4-5H2,1-3H3
InChIKeyAGDQBXBSUWRKEP-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine (PubChem CID 114660043) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
PubChem CID114660043
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
SMILESCCc1cccnc1C(NC)c1c(Cl)cnn1CC
InChIInChI=1S/C14H19ClN4/c1-4-10-7-6-8-17-12(10)13(16-3)14-11(15)9-18-19(14)5-2/h6-9,13,16H,4-5H2,1-3H3
InChIKeyAGDQBXBSUWRKEP-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263746
1-(3-bromo-2-pyridinyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660548
[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263858
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649702
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chloro-2-pyridinyl)-N-methylmethanamine
CID 103444104
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 114660062
[(2-ethylpyrazol-3-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263839
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105184016
1-(3-chlorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82731318
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105040481
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methanol
CID 114645350

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine (CID 114660043) is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine is CCc1cccnc1C(NC)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine?
The InChIKey is AGDQBXBSUWRKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-10-7-6-8-17-12(10)13(16-3)14-11(15)9-18-19(14)5-2/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine has a molecular weight of 278.79 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114660043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).