ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen

C12H25N3 — CID 144702602

IUPACethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen
SMILESCC.CC1CCN(Cc2ccn[nH]2)CC1.[H][H]
InChIInChI=1S/C10H17N3.C2H6.H2/c1-9-3-6-13(7-4-9)8-10-2-5-11-12-10;1-2;/h2,5,9H,3-4,6-8H2,1H3,(H,11,12);1-2H3;1H
InChIKeyJZQUQFVBLDWLCS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds2

About ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen

ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen (PubChem CID 144702602) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen.

Molecular Properties

Compound Nameethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen
PubChem CID144702602
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Nameethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen
SMILESCC.CC1CCN(Cc2ccn[nH]2)CC1.[H][H]
InChIInChI=1S/C10H17N3.C2H6.H2/c1-9-3-6-13(7-4-9)8-10-2-5-11-12-10;1-2;/h2,5,9H,3-4,6-8H2,1H3,(H,11,12);1-2H3;1H
InChIKeyJZQUQFVBLDWLCS-UHFFFAOYSA-N
XLogP2.91
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
CID 82416866
4-(1H-pyrazol-5-ylmethyl)-1,4-thiazepane
CID 130978157
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1H-pyrazole
CID 131101674
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111386644
1-benzhydryl-4-(1H-pyrazol-5-ylmethyl)piperazine
CID 166187046
4,4-diphenyl-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 141031204
2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol
CID 115882853
2-N,2-N-dimethyl-5-N-[(4R)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 129343786
5-methoxy-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1H-indole
CID 122140104
2-N,2-N-dimethyl-5-N-[(4S)-1-(1H-pyrazol-5-ylmethyl)azepan-4-yl]pyridine-2,5-diamine
CID 129343785
1,4-dimethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 115630442

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen?
The IUPAC name of ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen (CID 144702602) is ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen.
What is the SMILES notation for ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen?
The canonical SMILES for ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen is CC.CC1CCN(Cc2ccn[nH]2)CC1.[H][H].
What is the InChIKey of ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen?
The InChIKey is JZQUQFVBLDWLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2H6.H2/c1-9-3-6-13(7-4-9)8-10-2-5-11-12-10;1-2;/h2,5,9H,3-4,6-8H2,1H3,(H,11,12);1-2H3;1H.
What are the key properties of ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen?
ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen has a molecular weight of 211.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen is sourced from PubChem (CID 144702602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).