N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine

C14H19ClN4 — CID 74235277

IUPACN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine
SMILESCCc1ccc(CN(C)Cc2n[nH]c(C)c2Cl)nc1
InChIInChI=1S/C14H19ClN4/c1-4-11-5-6-12(16-7-11)8-19(3)9-13-14(15)10(2)17-18-13/h5-7H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyQOMUWYAQABCQLQ-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.96
Rot. Bonds5

About N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine

N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine (PubChem CID 74235277) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine
PubChem CID74235277
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine
SMILESCCc1ccc(CN(C)Cc2n[nH]c(C)c2Cl)nc1
InChIInChI=1S/C14H19ClN4/c1-4-11-5-6-12(16-7-11)8-19(3)9-13-14(15)10(2)17-18-13/h5-7H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyQOMUWYAQABCQLQ-UHFFFAOYSA-N
XLogP2.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine with MolForge

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Related Compounds

1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine
CID 74244454
1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine
CID 91836205
2-[(5-ethyl-2-pyridinyl)methyl-methylamino]acetic acid
CID 56710868
N-[(5-ethyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 90369559
N-[(5-ethyl-2-pyridinyl)methyl]-3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-methylbenzamide
CID 122556031
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
N-[(5-chloro-2-pyridinyl)methyl]-N-methylethanamine
CID 130634861
3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 56705728
N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine
CID 42510853
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119073687
2-N-[(5-ethyl-2-pyridinyl)methyl]-2-N,4-N,4-N,5-tetramethylpyrimidine-2,4-diamine
CID 50980759
4-chloro-6-[(5-ethyl-2-pyridinyl)methyl]-5-methylpyrimidine
CID 79739170

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine (CID 74235277) is N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine is CCc1ccc(CN(C)Cc2n[nH]c(C)c2Cl)nc1.
What is the InChIKey of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine?
The InChIKey is QOMUWYAQABCQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-11-5-6-12(16-7-11)8-19(3)9-13-14(15)10(2)17-18-13/h5-7H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine?
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine has a molecular weight of 278.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 74235277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).