N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide

C15H26N4O — CID 50979961

IUPACN-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
SMILESCC(Cn1cccn1)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H26N4O/c1-13(12-19-11-5-9-17-19)16-10-8-15(20)18-14-6-3-2-4-7-14/h5,9,11,13-14,16H,2-4,6-8,10,12H2,1H3,(H,18,20)
InChIKeyRDNOWPLVYGHUFE-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.70
Rot. Bonds7

About N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide

N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide (PubChem CID 50979961) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
PubChem CID50979961
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
SMILESCC(Cn1cccn1)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H26N4O/c1-13(12-19-11-5-9-17-19)16-10-8-15(20)18-14-6-3-2-4-7-14/h5,9,11,13-14,16H,2-4,6-8,10,12H2,1H3,(H,18,20)
InChIKeyRDNOWPLVYGHUFE-UHFFFAOYSA-N
XLogP1.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide?
The IUPAC name of N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide (CID 50979961) is N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide?
The canonical SMILES for N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide is CC(Cn1cccn1)NCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide?
The InChIKey is RDNOWPLVYGHUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(12-19-11-5-9-17-19)16-10-8-15(20)18-14-6-3-2-4-7-14/h5,9,11,13-14,16H,2-4,6-8,10,12H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide?
N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanamide is sourced from PubChem (CID 50979961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).