1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile

C15H22N4 — CID 79573266

IUPAC1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCc1ccnn1CCC1CCCC1(C#N)NC1CC1
InChIInChI=1S/C15H22N4/c1-12-6-9-17-19(12)10-7-13-3-2-8-15(13,11-16)18-14-4-5-14/h6,9,13-14,18H,2-5,7-8,10H2,1H3
InChIKeyTVHREGGUBQMSQM-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.40
Rot. Bonds5

About 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79573266) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID79573266
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCc1ccnn1CCC1CCCC1(C#N)NC1CC1
InChIInChI=1S/C15H22N4/c1-12-6-9-17-19(12)10-7-13-3-2-8-15(13,11-16)18-14-4-5-14/h6,9,13-14,18H,2-5,7-8,10H2,1H3
InChIKeyTVHREGGUBQMSQM-UHFFFAOYSA-N
XLogP2.40
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile (CID 79573266) is 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile is Cc1ccnn1CCC1CCCC1(C#N)NC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is TVHREGGUBQMSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-6-9-17-19(12)10-7-13-3-2-8-15(13,11-16)18-14-4-5-14/h6,9,13-14,18H,2-5,7-8,10H2,1H3.
What are the key properties of 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79573266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).