2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine

C16H25N5 — CID 103823681

IUPAC2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2cnn(C(C)C)c2)cn1
InChIInChI=1S/C16H25N5/c1-5-20(6-2)16-8-7-15(11-18-16)17-9-14-10-19-21(12-14)13(3)4/h7-8,10-13,17H,5-6,9H2,1-4H3
InChIKeyLTYHLSYSFBEPTG-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.32
Rot. Bonds7

About 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine

2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine (PubChem CID 103823681) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
PubChem CID103823681
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2cnn(C(C)C)c2)cn1
InChIInChI=1S/C16H25N5/c1-5-20(6-2)16-8-7-15(11-18-16)17-9-14-10-19-21(12-14)13(3)4/h7-8,10-13,17H,5-6,9H2,1-4H3
InChIKeyLTYHLSYSFBEPTG-UHFFFAOYSA-N
XLogP3.32
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
2-[4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64828612
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43697331
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine
CID 66407638
3-bromo-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818279
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 107095654
5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 81432293

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine (CID 103823681) is 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine is CCN(CC)c1ccc(NCc2cnn(C(C)C)c2)cn1.
What is the InChIKey of 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The InChIKey is LTYHLSYSFBEPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-5-20(6-2)16-8-7-15(11-18-16)17-9-14-10-19-21(12-14)13(3)4/h7-8,10-13,17H,5-6,9H2,1-4H3.
What are the key properties of 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 103823681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).