3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile

C11H11N5 — CID 82872539

IUPAC3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCn1ccc(CNc2cccnc2C#N)n1
InChIInChI=1S/C11H11N5/c1-16-6-4-9(15-16)8-14-10-3-2-5-13-11(10)7-12/h2-6,14H,8H2,1H3
InChIKeyBQCURACQZFONIT-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.30
Rot. Bonds3

About 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile

3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 82872539) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile
PubChem CID82872539
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCn1ccc(CNc2cccnc2C#N)n1
InChIInChI=1S/C11H11N5/c1-16-6-4-9(15-16)8-14-10-3-2-5-13-11(10)7-12/h2-6,14H,8H2,1H3
InChIKeyBQCURACQZFONIT-UHFFFAOYSA-N
XLogP1.30
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 19619185
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
CID 82881645
3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 115757903
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103007002
2-[(1-methylpyrazol-3-yl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 82873879
1-(1-methylpyrazol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 78948033
N-[(1-methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79478733
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82875234
2-amino-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82882628

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile (CID 82872539) is 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile is Cn1ccc(CNc2cccnc2C#N)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is BQCURACQZFONIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-16-6-4-9(15-16)8-14-10-3-2-5-13-11(10)7-12/h2-6,14H,8H2,1H3.
What are the key properties of 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile?
3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 82872539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).