4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine

C11H21N5 — CID 114999006

IUPAC4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
SMILESCCN1CCC(CNc2cn[nH]c2N)CC1
InChIInChI=1S/C11H21N5/c1-2-16-5-3-9(4-6-16)7-13-10-8-14-15-11(10)12/h8-9,13H,2-7H2,1H3,(H3,12,14,15)
InChIKeyWCZGUFLVUJYHQC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds4

About 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine

4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine (PubChem CID 114999006) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
PubChem CID114999006
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
SMILESCCN1CCC(CNc2cn[nH]c2N)CC1
InChIInChI=1S/C11H21N5/c1-2-16-5-3-9(4-6-16)7-13-10-8-14-15-11(10)12/h8-9,13H,2-7H2,1H3,(H3,12,14,15)
InChIKeyWCZGUFLVUJYHQC-UHFFFAOYSA-N
XLogP1.14
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82237182
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82238130
1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 115506828
2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 62375945
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine
CID 113452023
1-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590215
2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 83265626
3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 114046183
2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
CID 115545622
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114436226
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
3-N-[(1-ethylpiperidin-4-yl)methyl]-2-nitrobenzene-1,3-diamine
CID 80812500

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine (CID 114999006) is 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine is CCN1CCC(CNc2cn[nH]c2N)CC1.
What is the InChIKey of 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine?
The InChIKey is WCZGUFLVUJYHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-2-16-5-3-9(4-6-16)7-13-10-8-14-15-11(10)12/h8-9,13H,2-7H2,1H3,(H3,12,14,15).
What are the key properties of 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine?
4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114999006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).