N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide

C14H21N3O2 — CID 73421866

IUPACN-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C14H21N3O2/c1-10(9-19-2)15-14(18)13-8-12(16-17-13)11-6-4-3-5-7-11/h3-7,10,12-13,16-17H,8-9H2,1-2H3,(H,15,18)
InChIKeyPYYAKUDZHLXCJG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.75
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 73421866) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID73421866
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C14H21N3O2/c1-10(9-19-2)15-14(18)13-8-12(16-17-13)11-6-4-3-5-7-11/h3-7,10,12-13,16-17H,8-9H2,1-2H3,(H,15,18)
InChIKeyPYYAKUDZHLXCJG-UHFFFAOYSA-N
XLogP0.75
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 75666383
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 52978508
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75973429
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24693482
N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
CID 74537316
N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 85482644
N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
CID 78640428
5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide
CID 133141911
5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
CID 78211548
5-(2-chlorophenyl)-N-(4-phenylbutan-2-yl)pyrazolidine-3-carboxamide
CID 75255190
5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986476

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide (CID 73421866) is N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide is COCC(C)NC(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is PYYAKUDZHLXCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(9-19-2)15-14(18)13-8-12(16-17-13)11-6-4-3-5-7-11/h3-7,10,12-13,16-17H,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide?
N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 73421866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).