2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine

C9H17N3 — CID 81020936

IUPAC2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
SMILESCCn1cc(C(C)(C)CN)cn1
InChIInChI=1S/C9H17N3/c1-4-12-6-8(5-11-12)9(2,3)7-10/h5-6H,4,7,10H2,1-3H3
InChIKeyJHXANZQUUDAEQD-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.14
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine

2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine (PubChem CID 81020936) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
PubChem CID81020936
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
SMILESCCn1cc(C(C)(C)CN)cn1
InChIInChI=1S/C9H17N3/c1-4-12-6-8(5-11-12)9(2,3)7-10/h5-6H,4,7,10H2,1-3H3
InChIKeyJHXANZQUUDAEQD-UHFFFAOYSA-N
XLogP1.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine
CID 130574621
3-amino-2-(1-ethylpyrazol-4-yl)butan-2-ol
CID 130574320
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
CID 66037685
1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66038938
2-(1-ethylpyrazol-4-yl)-1,1-dimethoxypropan-2-ol
CID 66039566
2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691
4-(1-ethylpyrazol-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392590
1-(2-methoxyethyl)-4-(2-methylbutan-2-yl)pyrazole
CID 145022478
1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
CID 155261599
4-(4-tert-butylphenyl)-1-ethylpyrazole
CID 126653145
3-(1-ethylpyrazol-4-yl)butan-1-amine
CID 81014220
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine (CID 81020936) is 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine is CCn1cc(C(C)(C)CN)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
The InChIKey is JHXANZQUUDAEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-12-6-8(5-11-12)9(2,3)7-10/h5-6H,4,7,10H2,1-3H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 81020936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).