N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide

C14H20N4O2 — CID 91648963

IUPACN-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide
SMILESNC(=O)CCn1ccc(NC(=O)C2=CCCCCC2)n1
InChIInChI=1S/C14H20N4O2/c15-12(19)7-9-18-10-8-13(17-18)16-14(20)11-5-3-1-2-4-6-11/h5,8,10H,1-4,6-7,9H2,(H2,15,19)(H,16,17,20)
InChIKeyYGTSLYGHXZIINZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds5

About N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide

N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide (PubChem CID 91648963) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide
PubChem CID91648963
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide
SMILESNC(=O)CCn1ccc(NC(=O)C2=CCCCCC2)n1
InChIInChI=1S/C14H20N4O2/c15-12(19)7-9-18-10-8-13(17-18)16-14(20)11-5-3-1-2-4-6-11/h5,8,10H,1-4,6-7,9H2,(H2,15,19)(H,16,17,20)
InChIKeyYGTSLYGHXZIINZ-UHFFFAOYSA-N
XLogP1.59
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide (CID 91648963) is N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide is NC(=O)CCn1ccc(NC(=O)C2=CCCCCC2)n1.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide?
The InChIKey is YGTSLYGHXZIINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-12(19)7-9-18-10-8-13(17-18)16-14(20)11-5-3-1-2-4-6-11/h5,8,10H,1-4,6-7,9H2,(H2,15,19)(H,16,17,20).
What are the key properties of N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide?
N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]cycloheptene-1-carboxamide is sourced from PubChem (CID 91648963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).