N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide

C19H27FN4O2 — CID 133108056

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CNNC1c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C19H27FN4O2/c20-16-9-5-4-8-14(16)18-15(12-22-24-18)19(26)21-11-10-17(25)23-13-6-2-1-3-7-13/h4-5,8-9,13,15,18,22,24H,1-3,6-7,10-12H2,(H,21,26)(H,23,25)
InChIKeyZSHKVKWPXRHQPZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.55
Rot. Bonds6

About N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide

N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide (PubChem CID 133108056) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide
PubChem CID133108056
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CNNC1c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C19H27FN4O2/c20-16-9-5-4-8-14(16)18-15(12-22-24-18)19(26)21-11-10-17(25)23-13-6-2-1-3-7-13/h4-5,8-9,13,15,18,22,24H,1-3,6-7,10-12H2,(H,21,26)(H,23,25)
InChIKeyZSHKVKWPXRHQPZ-UHFFFAOYSA-N
XLogP1.55
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide
CID 52989681
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
N-cyclohexyl-3-[[(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]propanamide
CID 97133447
N-cyclohexyl-3-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]propanamide
CID 111267039
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79377587
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate
CID 1131242
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide (CID 133108056) is N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide is O=C(CCNC(=O)C1CNNC1c1ccccc1F)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide?
The InChIKey is ZSHKVKWPXRHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c20-16-9-5-4-8-14(16)18-15(12-22-24-18)19(26)21-11-10-17(25)23-13-6-2-1-3-7-13/h4-5,8-9,13,15,18,22,24H,1-3,6-7,10-12H2,(H,21,26)(H,23,25).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-3-(2-fluorophenyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 133108056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).