N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide

C12H18N4O — CID 75973429

IUPACN-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(c2ccncc2)NN1
InChIInChI=1S/C12H18N4O/c1-8(2)14-12(17)11-7-10(15-16-11)9-3-5-13-6-4-9/h3-6,8,10-11,15-16H,7H2,1-2H3,(H,14,17)
InChIKeyDIOYGRNJDNNBAH-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.51
Rot. Bonds3

About N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide

N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 75973429) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID75973429
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CC(c2ccncc2)NN1
InChIInChI=1S/C12H18N4O/c1-8(2)14-12(17)11-7-10(15-16-11)9-3-5-13-6-4-9/h3-6,8,10-11,15-16H,7H2,1-2H3,(H,14,17)
InChIKeyDIOYGRNJDNNBAH-UHFFFAOYSA-N
XLogP0.51
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 155921726
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide
CID 134080235
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
CID 73421866
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975401
5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 75666383
4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine
CID 50989563
5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75975436
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975429

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 75973429) is N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide is CC(C)NC(=O)C1CC(c2ccncc2)NN1.
What is the InChIKey of N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is DIOYGRNJDNNBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8(2)14-12(17)11-7-10(15-16-11)9-3-5-13-6-4-9/h3-6,8,10-11,15-16H,7H2,1-2H3,(H,14,17).
What are the key properties of N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75973429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).