1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine

C12H21N3 — CID 83861623

IUPAC1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine
SMILESCNCC1CCc2[nH]nc(C(C)(C)C)c21
InChIInChI=1S/C12H21N3/c1-12(2,3)11-10-8(7-13-4)5-6-9(10)14-15-11/h8,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyUGYMSKDYYMMTPC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.96
Rot. Bonds2

About 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine

1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine (PubChem CID 83861623) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine
PubChem CID83861623
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine
SMILESCNCC1CCc2[nH]nc(C(C)(C)C)c21
InChIInChI=1S/C12H21N3/c1-12(2,3)11-10-8(7-13-4)5-6-9(10)14-15-11/h8,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyUGYMSKDYYMMTPC-UHFFFAOYSA-N
XLogP1.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine (CID 83861623) is 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine is CNCC1CCc2[nH]nc(C(C)(C)C)c21.
What is the InChIKey of 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine?
The InChIKey is UGYMSKDYYMMTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)11-10-8(7-13-4)5-6-9(10)14-15-11/h8,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine?
1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 83861623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).