N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide

C18H25N5O — CID 139006084

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)C2CCCN2c2ccccc2)n1
InChIInChI=1S/C18H25N5O/c1-21(2)13-14-22-12-10-17(20-22)19-18(24)16-9-6-11-23(16)15-7-4-3-5-8-15/h3-5,7-8,10,12,16H,6,9,11,13-14H2,1-2H3,(H,19,20,24)
InChIKeyWIHIVKYRKYZXLS-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.05
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide (PubChem CID 139006084) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide
PubChem CID139006084
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)C2CCCN2c2ccccc2)n1
InChIInChI=1S/C18H25N5O/c1-21(2)13-14-22-12-10-17(20-22)19-18(24)16-9-6-11-23(16)15-7-4-3-5-8-15/h3-5,7-8,10,12,16H,6,9,11,13-14H2,1-2H3,(H,19,20,24)
InChIKeyWIHIVKYRKYZXLS-UHFFFAOYSA-N
XLogP2.05
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96997890
3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870150
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide
CID 128532338
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
3-(1,3-benzoxazol-2-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]piperidine-1-carboxamide
CID 126793400
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrrolidine-2-carboxamide
CID 139009521
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
CID 119870177
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119870176

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide (CID 139006084) is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide is CN(C)CCn1ccc(NC(=O)C2CCCN2c2ccccc2)n1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is WIHIVKYRKYZXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-21(2)13-14-22-12-10-17(20-22)19-18(24)16-9-6-11-23(16)15-7-4-3-5-8-15/h3-5,7-8,10,12,16H,6,9,11,13-14H2,1-2H3,(H,19,20,24).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 139006084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).