1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine

C16H23ClN4 — CID 74244454

IUPAC1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine
SMILESCc1[nH]nc(CN(C)Cc2ccc(CN(C)C)cc2)c1Cl
InChIInChI=1S/C16H23ClN4/c1-12-16(17)15(19-18-12)11-21(4)10-14-7-5-13(6-8-14)9-20(2)3/h5-8H,9-11H2,1-4H3,(H,18,19)
InChIKeyAMLCGODLJKRDSG-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.07
Rot. Bonds6

About 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine

1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 74244454) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine
PubChem CID74244454
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine
SMILESCc1[nH]nc(CN(C)Cc2ccc(CN(C)C)cc2)c1Cl
InChIInChI=1S/C16H23ClN4/c1-12-16(17)15(19-18-12)11-21(4)10-14-7-5-13(6-8-14)9-20(2)3/h5-8H,9-11H2,1-4H3,(H,18,19)
InChIKeyAMLCGODLJKRDSG-UHFFFAOYSA-N
XLogP3.07
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine
CID 74235277
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine
CID 77092521
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 74230946
1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
CID 47013669
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine
CID 103054121
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methylbenzamide
CID 123145441
2-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]phenoxy]acetic acid
CID 77079828
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 61413584

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine (CID 74244454) is 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine is Cc1[nH]nc(CN(C)Cc2ccc(CN(C)C)cc2)c1Cl.
What is the InChIKey of 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is AMLCGODLJKRDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-12-16(17)15(19-18-12)11-21(4)10-14-7-5-13(6-8-14)9-20(2)3/h5-8H,9-11H2,1-4H3,(H,18,19).
What are the key properties of 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine?
1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 306.84 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl-methylamino]methyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 74244454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).