1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine

C9H17N3 — CID 105433572

IUPAC1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(C)N)nn1C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)12-7(3)5-9(11-12)8(4)10/h5-6,8H,10H2,1-4H3
InChIKeyCEPMHRDIKVUNRA-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.79
Rot. Bonds2

About 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine

1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 105433572) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID105433572
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(C)N)nn1C(C)C
InChIInChI=1S/C9H17N3/c1-6(2)12-7(3)5-9(11-12)8(4)10/h5-6,8H,10H2,1-4H3
InChIKeyCEPMHRDIKVUNRA-UHFFFAOYSA-N
XLogP1.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 105450059
1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine
CID 105449463
1-(5-cyclobutyl-1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105461057
3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189
5-chloro-1,3-di(propan-2-yl)pyrazole
CID 66020569
3-cyclopropyl-5-methyl-1-propan-2-ylpyrazole
CID 122521943
3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine
CID 83845433
4-amino-3-(5-methyl-1-propan-2-ylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 23006459
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
2-(3-amino-5-methylpyrazol-1-yl)propanoic acid
CID 19620619
1-(2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanamine
CID 82410441

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine (CID 105433572) is 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine is Cc1cc(C(C)N)nn1C(C)C.
What is the InChIKey of 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is CEPMHRDIKVUNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)12-7(3)5-9(11-12)8(4)10/h5-6,8H,10H2,1-4H3.
What are the key properties of 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine?
1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105433572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).