3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine

C14H21N5 — CID 66028713

IUPAC3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCc2cccnc2)c1N
InChIInChI=1S/C14H21N5/c1-10(2)19-14(13(15)11(3)18-19)17-8-6-12-5-4-7-16-9-12/h4-5,7,9-10,17H,6,8,15H2,1-3H3
InChIKeyQMOCOBMYEMVEJZ-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.40
Rot. Bonds5

About 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine

3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine (PubChem CID 66028713) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine
PubChem CID66028713
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCc2cccnc2)c1N
InChIInChI=1S/C14H21N5/c1-10(2)19-14(13(15)11(3)18-19)17-8-6-12-5-4-7-16-9-12/h4-5,7,9-10,17H,6,8,15H2,1-3H3
InChIKeyQMOCOBMYEMVEJZ-UHFFFAOYSA-N
XLogP2.40
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine
CID 66024821
5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029512
1,3-dimethyl-5-(2-pyridin-3-ylethylamino)pyrazole-4-carbothioamide
CID 63758424
3-methyl-5-N-(3-methylsulfinylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 113487227
3-bromo-4-methyl-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 104506472
2-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 115132207
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
2-methyl-4-N-(2-pyridin-3-ylethyl)-1H-imidazole-4,5-diamine
CID 82239168
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 60912731
ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate
CID 66025704
N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 78921214
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine?
The IUPAC name of 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine (CID 66028713) is 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCCc2cccnc2)c1N.
What is the InChIKey of 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine?
The InChIKey is QMOCOBMYEMVEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)19-14(13(15)11(3)18-19)17-8-6-12-5-4-7-16-9-12/h4-5,7,9-10,17H,6,8,15H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine?
3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-5-N-(2-pyridin-3-ylethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66028713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).