ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine

C12H24N6 — CID 145008054

IUPACethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine
SMILESCC.CNCc1cn[nH]c1.Cn1nccc1CN
InChIInChI=1S/2C5H9N3.C2H6/c1-6-2-5-3-7-8-4-5;1-8-5(4-6)2-3-7-8;1-2/h3-4,6H,2H2,1H3,(H,7,8);2-3H,4,6H2,1H3;1-2H3
InChIKeyDVECXAGQVUURLO-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.03
Rot. Bonds3

About ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine

ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine (PubChem CID 145008054) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine
PubChem CID145008054
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Nameethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine
SMILESCC.CNCc1cn[nH]c1.Cn1nccc1CN
InChIInChI=1S/2C5H9N3.C2H6/c1-6-2-5-3-7-8-4-5;1-8-5(4-6)2-3-7-8;1-2/h3-4,6H,2H2,1H3,(H,7,8);2-3H,4,6H2,1H3;1-2H3
InChIKeyDVECXAGQVUURLO-UHFFFAOYSA-N
XLogP1.03
TPSA84.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47372067
1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999612
N-methyl-1-[2-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methanamine
CID 103015761
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethoxy]-4-nitrophenyl]methanamine
CID 102999725
5-(bromomethyl)-1-methylpyrazole
CID 59589503
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine
CID 103015658
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
CID 114554977
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999863

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine (CID 145008054) is ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine is CC.CNCc1cn[nH]c1.Cn1nccc1CN.
What is the InChIKey of ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine?
The InChIKey is DVECXAGQVUURLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H9N3.C2H6/c1-6-2-5-3-7-8-4-5;1-8-5(4-6)2-3-7-8;1-2/h3-4,6H,2H2,1H3,(H,7,8);2-3H,4,6H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine?
ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine has a molecular weight of 252.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(1H-pyrazol-4-yl)methanamine;(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 145008054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).