4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

C18H23F2N5O — CID 119065539

IUPAC4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCN(Cc3cc(F)cc(F)c3)CC2)cn1
InChIInChI=1S/C18H23F2N5O/c1-23-12-14(11-22-23)2-3-21-18(26)25-6-4-24(5-7-25)13-15-8-16(19)10-17(20)9-15/h8-12H,2-7,13H2,1H3,(H,21,26)
InChIKeyRZNFEZYLCKFUJN-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.77
Rot. Bonds5

About 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide (PubChem CID 119065539) has the molecular formula C18H23F2N5O and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
PubChem CID119065539
Molecular FormulaC18H23F2N5O
Molecular Weight363.41 g/mol
Exact Mass363.19
IUPAC Name4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCN(Cc3cc(F)cc(F)c3)CC2)cn1
InChIInChI=1S/C18H23F2N5O/c1-23-12-14(11-22-23)2-3-21-18(26)25-6-4-24(5-7-25)13-15-8-16(19)10-17(20)9-15/h8-12H,2-7,13H2,1H3,(H,21,26)
InChIKeyRZNFEZYLCKFUJN-UHFFFAOYSA-N
XLogP1.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889
4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 119061910
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 51084810
4-N-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1,4-dicarboxamide
CID 51084807
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
4-[(1-methylpyrazol-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 19293574
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
4-(adamantane-1-carbonyl)-N-[2-(3,5-difluorophenyl)ethyl]piperazine-1-carboxamide
CID 86874987

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide (CID 119065539) is 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide is Cn1cc(CCNC(=O)N2CCN(Cc3cc(F)cc(F)c3)CC2)cn1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is RZNFEZYLCKFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O/c1-23-12-14(11-22-23)2-3-21-18(26)25-6-4-24(5-7-25)13-15-8-16(19)10-17(20)9-15/h8-12H,2-7,13H2,1H3,(H,21,26).
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 119065539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).