5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide

C14H20ClN3O2 — CID 52978508

IUPAC5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C14H20ClN3O2/c1-9(8-20-2)16-14(19)13-7-12(17-18-13)10-5-3-4-6-11(10)15/h3-6,9,12-13,17-18H,7-8H2,1-2H3,(H,16,19)
InChIKeyGMHMPAFXDKLNMV-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.40
Rot. Bonds5

About 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide

5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide (PubChem CID 52978508) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
PubChem CID52978508
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C14H20ClN3O2/c1-9(8-20-2)16-14(19)13-7-12(17-18-13)10-5-3-4-6-11(10)15/h3-6,9,12-13,17-18H,7-8H2,1-2H3,(H,16,19)
InChIKeyGMHMPAFXDKLNMV-UHFFFAOYSA-N
XLogP1.40
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
CID 73421866
5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
CID 75255190
5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide
CID 52978511
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 75666383
methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74623743
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide
CID 75254788
N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254786
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24693482
(2R)-4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
CID 155903423

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide (CID 52978508) is 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide is COCC(C)NC(=O)C1CC(c2ccccc2Cl)NN1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide?
The InChIKey is GMHMPAFXDKLNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(8-20-2)16-14(19)13-7-12(17-18-13)10-5-3-4-6-11(10)15/h3-6,9,12-13,17-18H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide?
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 52978508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).