2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

C14H21ClN4 — CID 79572696

IUPAC2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C14H21ClN4/c1-3-17-14(10-16)7-4-5-12(14)6-8-19-11(2)13(15)9-18-19/h9,12,17H,3-8H2,1-2H3
InChIKeyRDHWOWLQNNJTGV-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.91
Rot. Bonds5

About 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile

2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79572696) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79572696
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCCC1CCn1ncc(Cl)c1C
InChIInChI=1S/C14H21ClN4/c1-3-17-14(10-16)7-4-5-12(14)6-8-19-11(2)13(15)9-18-19/h9,12,17H,3-8H2,1-2H3
InChIKeyRDHWOWLQNNJTGV-UHFFFAOYSA-N
XLogP2.91
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79572696) is 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCCC1CCn1ncc(Cl)c1C.
What is the InChIKey of 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is RDHWOWLQNNJTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-3-17-14(10-16)7-4-5-12(14)6-8-19-11(2)13(15)9-18-19/h9,12,17H,3-8H2,1-2H3.
What are the key properties of 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile?
2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 280.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).