4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine

C12H10N6 — CID 102921993

IUPAC4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cncnc2)c1-c1ccncc1
InChIInChI=1S/C12H10N6/c13-12-10(8-1-3-14-4-2-8)11(17-18-12)9-5-15-7-16-6-9/h1-7H,(H3,13,17,18)
InChIKeyDYVLWJLQHVBXRW-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.51
Rot. Bonds2

About 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine

4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine (PubChem CID 102921993) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
PubChem CID102921993
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cncnc2)c1-c1ccncc1
InChIInChI=1S/C12H10N6/c13-12-10(8-1-3-14-4-2-8)11(17-18-12)9-5-15-7-16-6-9/h1-7H,(H3,13,17,18)
InChIKeyDYVLWJLQHVBXRW-UHFFFAOYSA-N
XLogP1.51
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dipyridin-4-yl-1H-pyrazol-3-amine
CID 80524588
4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921935
5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524633
4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921933
5-(3-methylthiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524484
5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524690
5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 104853091
5-(furan-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524531
5-(5-fluoro-2-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524488
4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921922
4-(4-fluorophenyl)-5-pyridazin-4-yl-1H-pyrazol-3-amine
CID 104670630
5-pyrazolo[1,5-a]pyrazin-3-yl-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 103118925

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine (CID 102921993) is 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cncnc2)c1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The InChIKey is DYVLWJLQHVBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-12-10(8-1-3-14-4-2-8)11(17-18-12)9-5-15-7-16-6-9/h1-7H,(H3,13,17,18).
What are the key properties of 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine has a molecular weight of 238.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 102921993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).