(1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine

C11H17N3 — CID 164650799

IUPAC(1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine
SMILESCCn1cc(C(N)C2CC23CC3)cn1
InChIInChI=1S/C11H17N3/c1-2-14-7-8(6-13-14)10(12)9-5-11(9)3-4-11/h6-7,9-10H,2-5,12H2,1H3
InChIKeyHRBUYVNKSVQNSC-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.70
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine

(1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine (PubChem CID 164650799) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine
PubChem CID164650799
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine
SMILESCCn1cc(C(N)C2CC23CC3)cn1
InChIInChI=1S/C11H17N3/c1-2-14-7-8(6-13-14)10(12)9-5-11(9)3-4-11/h6-7,9-10H,2-5,12H2,1H3
InChIKeyHRBUYVNKSVQNSC-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
[(2,2-dimethylcyclopropyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 107005582
(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine
CID 65332290
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107004225
(3,5-dimethyl-1-adamantyl)-(1-ethylpyrazol-4-yl)methanamine
CID 79995661
(1-ethylpyrazol-4-yl)-(1-phenylcyclobutyl)methanamine
CID 55182305
(1-ethylpyrazol-4-yl)-(1-phenylcyclopentyl)methanamine
CID 63079220
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine?
The IUPAC name of (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine (CID 164650799) is (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine?
The canonical SMILES for (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine is CCn1cc(C(N)C2CC23CC3)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine?
The InChIKey is HRBUYVNKSVQNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-14-7-8(6-13-14)10(12)9-5-11(9)3-4-11/h6-7,9-10H,2-5,12H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine?
(1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine has a molecular weight of 191.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-spiro[2.2]pentan-2-ylmethanamine is sourced from PubChem (CID 164650799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).