5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C19H21F3N4O — CID 154971590

IUPAC5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3C4CCCC43)n(CC3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)27-16-6-11(8-24-18(16)23)14-7-15(17-12-2-1-3-13(12)17)26(25-14)9-10-4-5-10/h6-8,10,12-13,17H,1-5,9H2,(H2,23,24)
InChIKeyHMTDDXQXQUQZSV-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.35
Rot. Bonds5

About 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 154971590) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID154971590
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3C4CCCC43)n(CC3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)27-16-6-11(8-24-18(16)23)14-7-15(17-12-2-1-3-13(12)17)26(25-14)9-10-4-5-10/h6-8,10,12-13,17H,1-5,9H2,(H2,23,24)
InChIKeyHMTDDXQXQUQZSV-UHFFFAOYSA-N
XLogP4.35
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 154971590) is 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(C3C4CCCC43)n(CC3CC3)n2)cc1OC(F)(F)F.
What is the InChIKey of 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is HMTDDXQXQUQZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)27-16-6-11(8-24-18(16)23)14-7-15(17-12-2-1-3-13(12)17)26(25-14)9-10-4-5-10/h6-8,10,12-13,17H,1-5,9H2,(H2,23,24).
What are the key properties of 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 378.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-bicyclo[3.1.0]hexanyl)-1-(cyclopropylmethyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 154971590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).