4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine

C10H13N5 — CID 82238157

IUPAC4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1NCCc1cccnc1
InChIInChI=1S/C10H13N5/c11-10-9(7-14-15-10)13-5-3-8-2-1-4-12-6-8/h1-2,4,6-7,13H,3,5H2,(H3,11,14,15)
InChIKeyMOVJBSHSVIWBFM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.04
Rot. Bonds4

About 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine

4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine (PubChem CID 82238157) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine
PubChem CID82238157
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1NCCc1cccnc1
InChIInChI=1S/C10H13N5/c11-10-9(7-14-15-10)13-5-3-8-2-1-4-12-6-8/h1-2,4,6-7,13H,3,5H2,(H3,11,14,15)
InChIKeyMOVJBSHSVIWBFM-UHFFFAOYSA-N
XLogP1.04
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
2-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 63264504
2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
CID 82239168
2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
CID 63265128
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393
3-chloro-4-(2-pyridin-3-ylethylamino)benzenecarbothioamide
CID 63089105
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791275
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline
CID 63264817
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
CID 80791747
5-bromo-2,4-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 102853347

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine (CID 82238157) is 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine is Nc1[nH]ncc1NCCc1cccnc1.
What is the InChIKey of 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine?
The InChIKey is MOVJBSHSVIWBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-10-9(7-14-15-10)13-5-3-8-2-1-4-12-6-8/h1-2,4,6-7,13H,3,5H2,(H3,11,14,15).
What are the key properties of 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine?
4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine has a molecular weight of 203.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82238157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).