N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine

C17H30N4 — CID 79535964

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCc1c(C(C)NC2CCCC2C2CCCCN2)cnn1C
InChIInChI=1S/C17H30N4/c1-12(15-11-19-21(3)13(15)2)20-17-9-6-7-14(17)16-8-4-5-10-18-16/h11-12,14,16-18,20H,4-10H2,1-3H3
InChIKeyQTYJEMWQURGVQX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.69
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine (PubChem CID 79535964) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
PubChem CID79535964
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCc1c(C(C)NC2CCCC2C2CCCCN2)cnn1C
InChIInChI=1S/C17H30N4/c1-12(15-11-19-21(3)13(15)2)20-17-9-6-7-14(17)16-8-4-5-10-18-16/h11-12,14,16-18,20H,4-10H2,1-3H3
InChIKeyQTYJEMWQURGVQX-UHFFFAOYSA-N
XLogP2.69
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine (CID 79535964) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine is Cc1c(C(C)NC2CCCC2C2CCCCN2)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The InChIKey is QTYJEMWQURGVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-12(15-11-19-21(3)13(15)2)20-17-9-6-7-14(17)16-8-4-5-10-18-16/h11-12,14,16-18,20H,4-10H2,1-3H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 79535964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).