1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile

C14H19F3N4 — CID 79576477

IUPAC1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N4/c1-2-19-13(10-18)6-3-4-11(13)5-7-21-9-12(8-20-21)14(15,16)17/h8-9,11,19H,2-7H2,1H3
InChIKeyDFBUTMQHJPTVHV-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.96
Rot. Bonds5

About 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile

1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79576477) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile
PubChem CID79576477
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N4/c1-2-19-13(10-18)6-3-4-11(13)5-7-21-9-12(8-20-21)14(15,16)17/h8-9,11,19H,2-7H2,1H3
InChIKeyDFBUTMQHJPTVHV-UHFFFAOYSA-N
XLogP2.96
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile (CID 79576477) is 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is DFBUTMQHJPTVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-2-19-13(10-18)6-3-4-11(13)5-7-21-9-12(8-20-21)14(15,16)17/h8-9,11,19H,2-7H2,1H3.
What are the key properties of 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile?
1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 300.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).