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

C10H19N5 — CID 82237182

IUPAC4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
SMILESCN1CCC(CNc2cn[nH]c2N)CC1
InChIInChI=1S/C10H19N5/c1-15-4-2-8(3-5-15)6-12-9-7-13-14-10(9)11/h7-8,12H,2-6H2,1H3,(H3,11,13,14)
InChIKeyHMVRNQVCYSMKAA-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.75
Rot. Bonds3

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

4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine (PubChem CID 82237182) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
PubChem CID82237182
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
SMILESCN1CCC(CNc2cn[nH]c2N)CC1
InChIInChI=1S/C10H19N5/c1-15-4-2-8(3-5-15)6-12-9-7-13-14-10(9)11/h7-8,12H,2-6H2,1H3,(H3,11,13,14)
InChIKeyHMVRNQVCYSMKAA-UHFFFAOYSA-N
XLogP0.75
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
CID 114999006
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine
CID 62657519
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82238130
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811968
2-amino-5-[(1-methylpiperidin-4-yl)methylamino]pyridine-4-carboxamide
CID 114195011
2-iodo-1-N-[(1-methylpiperidin-4-yl)methyl]benzene-1,4-diamine
CID 66094994
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63235520
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
5-amino-N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 54922416
6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
CID 80647279
4-N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4,5-diamine
CID 114987621

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine (CID 82237182) is 4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine is CN1CCC(CNc2cn[nH]c2N)CC1.
What is the InChIKey of 4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine?
The InChIKey is HMVRNQVCYSMKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-15-4-2-8(3-5-15)6-12-9-7-13-14-10(9)11/h7-8,12H,2-6H2,1H3,(H3,11,13,14).
What are the key properties of 4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine?
4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine has a molecular weight of 209.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82237182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).