4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile

C13H15N5 — CID 107462739

IUPAC4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCCc1nn(C)cc1NCc1ccnc(C#N)c1
InChIInChI=1S/C13H15N5/c1-3-12-13(9-18(2)17-12)16-8-10-4-5-15-11(6-10)7-14/h4-6,9,16H,3,8H2,1-2H3
InChIKeySQQZWMRYXYNTGP-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.86
Rot. Bonds4

About 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile

4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 107462739) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile
PubChem CID107462739
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCCc1nn(C)cc1NCc1ccnc(C#N)c1
InChIInChI=1S/C13H15N5/c1-3-12-13(9-18(2)17-12)16-8-10-4-5-15-11(6-10)7-14/h4-6,9,16H,3,8H2,1-2H3
InChIKeySQQZWMRYXYNTGP-UHFFFAOYSA-N
XLogP1.86
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 134244020
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 103909192
2-ethoxy-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]phenol
CID 107462470
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
4-[(3-fluoro-2-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881344
4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 107462384
3-ethyl-1-methyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
CID 115898042

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile (CID 107462739) is 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile is CCc1nn(C)cc1NCc1ccnc(C#N)c1.
What is the InChIKey of 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is SQQZWMRYXYNTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-3-12-13(9-18(2)17-12)16-8-10-4-5-15-11(6-10)7-14/h4-6,9,16H,3,8H2,1-2H3.
What are the key properties of 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile?
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107462739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).