N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide

C18H22FN5O — CID 56909325

IUPACN-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(Cc2cnn(-c3cccc(F)c3)c2)CCN1
InChIInChI=1S/C18H22FN5O/c19-14-2-1-3-16(8-14)24-11-13(9-21-24)10-23-7-6-20-17(12-23)18(25)22-15-4-5-15/h1-3,8-9,11,15,17,20H,4-7,10,12H2,(H,22,25)
InChIKeyIDOSXLJZOHDDGI-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.06
Rot. Bonds5

About N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide

N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide (PubChem CID 56909325) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
PubChem CID56909325
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC NameN-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(Cc2cnn(-c3cccc(F)c3)c2)CCN1
InChIInChI=1S/C18H22FN5O/c19-14-2-1-3-16(8-14)24-11-13(9-21-24)10-23-7-6-20-17(12-23)18(25)22-15-4-5-15/h1-3,8-9,11,15,17,20H,4-7,10,12H2,(H,22,25)
InChIKeyIDOSXLJZOHDDGI-UHFFFAOYSA-N
XLogP1.06
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 99954574
(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 125442464
(3aS,6aR)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138806025
5,5-difluoro-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 166267907
4-benzyl-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine;hydrochloride
CID 110170320
(2S)-4-[(8-chloroquinolin-2-yl)methyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95721592
(7S,9aR)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-7-[(4-hydroxyphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56857857
(7S,9aR)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-7-(2-methylpropyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856270
(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 97151070
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99973189
N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 78851425
(7S,9aR)-7-[(4-chlorophenyl)methyl]-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 131925308

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide (CID 56909325) is N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide is O=C(NC1CC1)C1CN(Cc2cnn(-c3cccc(F)c3)c2)CCN1.
What is the InChIKey of N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide?
The InChIKey is IDOSXLJZOHDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-14-2-1-3-16(8-14)24-11-13(9-21-24)10-23-7-6-20-17(12-23)18(25)22-15-4-5-15/h1-3,8-9,11,15,17,20H,4-7,10,12H2,(H,22,25).
What are the key properties of N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide?
N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide is sourced from PubChem (CID 56909325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).