(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine

C12H16N4 — CID 121212109

IUPAC(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC(C)c1[nH]nc(-c2ccccn2)c1CN
InChIInChI=1S/C12H16N4/c1-8(2)11-9(7-13)12(16-15-11)10-5-3-4-6-14-10/h3-6,8H,7,13H2,1-2H3,(H,15,16)
InChIKeyWMMCXAZCOUJSQC-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.05
Rot. Bonds3

About (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine

(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine (PubChem CID 121212109) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine
PubChem CID121212109
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC(C)c1[nH]nc(-c2ccccn2)c1CN
InChIInChI=1S/C12H16N4/c1-8(2)11-9(7-13)12(16-15-11)10-5-3-4-6-14-10/h3-6,8H,7,13H2,1-2H3,(H,15,16)
InChIKeyWMMCXAZCOUJSQC-UHFFFAOYSA-N
XLogP2.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanol
CID 121212085
5-propan-2-yl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521332
(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methanamine
CID 28916463
4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
CID 58250586
methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate
CID 131730044
propane;2-pyridin-2-ylpyridine
CID 158168510
2-(5-propan-2-yl-3-pyridin-2-ylpyrazol-1-yl)ethanamine
CID 121211757
2-[4-tert-butyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314885
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
(4-pyridin-2-ylpyrimidin-5-yl)methanamine
CID 83697190
(4-propan-2-yloxy-2-pyridin-2-ylphenyl)methanamine
CID 174880823
ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 601590

Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine (CID 121212109) is (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine is CC(C)c1[nH]nc(-c2ccccn2)c1CN.
What is the InChIKey of (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine?
The InChIKey is WMMCXAZCOUJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(2)11-9(7-13)12(16-15-11)10-5-3-4-6-14-10/h3-6,8H,7,13H2,1-2H3,(H,15,16).
What are the key properties of (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine?
(5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine has a molecular weight of 216.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-3-pyridin-2-yl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 121212109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).