2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide

C14H23N5O2 — CID 75374668

IUPAC2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
SMILESCC(C(=O)NCC(=O)Nc1cn[nH]c1)N1CCCCCC1
InChIInChI=1S/C14H23N5O2/c1-11(19-6-4-2-3-5-7-19)14(21)15-10-13(20)18-12-8-16-17-9-12/h8-9,11H,2-7,10H2,1H3,(H,15,21)(H,16,17)(H,18,20)
InChIKeyWTLGHFQLYUQOPI-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.73
Rot. Bonds5

About 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide

2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide (PubChem CID 75374668) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
PubChem CID75374668
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
SMILESCC(C(=O)NCC(=O)Nc1cn[nH]c1)N1CCCCCC1
InChIInChI=1S/C14H23N5O2/c1-11(19-6-4-2-3-5-7-19)14(21)15-10-13(20)18-12-8-16-17-9-12/h8-9,11H,2-7,10H2,1H3,(H,15,21)(H,16,17)(H,18,20)
InChIKeyWTLGHFQLYUQOPI-UHFFFAOYSA-N
XLogP0.73
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide (CID 75374668) is 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide is CC(C(=O)NCC(=O)Nc1cn[nH]c1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide?
The InChIKey is WTLGHFQLYUQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(19-6-4-2-3-5-7-19)14(21)15-10-13(20)18-12-8-16-17-9-12/h8-9,11H,2-7,10H2,1H3,(H,15,21)(H,16,17)(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide?
2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide is sourced from PubChem (CID 75374668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).