1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde

C13H16N4O — CID 43565126

IUPAC1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N(C)Cc2ccccn2)c1C=O
InChIInChI=1S/C13H16N4O/c1-10-12(9-18)13(17(3)15-10)16(2)8-11-6-4-5-7-14-11/h4-7,9H,8H2,1-3H3
InChIKeyJOHPUPFUCUMSJQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.57
Rot. Bonds4

About 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde

1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde (PubChem CID 43565126) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde
PubChem CID43565126
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N(C)Cc2ccccn2)c1C=O
InChIInChI=1S/C13H16N4O/c1-10-12(9-18)13(17(3)15-10)16(2)8-11-6-4-5-7-14-11/h4-7,9H,8H2,1-3H3
InChIKeyJOHPUPFUCUMSJQ-UHFFFAOYSA-N
XLogP1.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43564929
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde
CID 61411890
1,3-dimethyl-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrazole-4-carbaldehyde
CID 63839057
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66335136
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 62115998
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine
CID 63785609
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
CID 43565130
(E)-3-[1,3-dimethyl-5-[methyl(pyridin-4-ylmethyl)amino]pyrazol-4-yl]prop-2-enoic acid
CID 43564477
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
(E)-N,N,N',N'-tetrakis(pyridin-2-ylmethyl)ethene-1,2-diamine
CID 22115004
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde?
The IUPAC name of 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde (CID 43565126) is 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde is Cc1nn(C)c(N(C)Cc2ccccn2)c1C=O.
What is the InChIKey of 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde?
The InChIKey is JOHPUPFUCUMSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-12(9-18)13(17(3)15-10)16(2)8-11-6-4-5-7-14-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde?
1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde has a molecular weight of 244.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde is sourced from PubChem (CID 43565126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).