2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide

C18H32F2N4O — CID 19506830

IUPAC2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C18H32F2N4O/c1-4-6-8-12-23(13-9-7-5-2)14-15(3)22-17(25)16-10-11-21-24(16)18(19)20/h10-11,15,18H,4-9,12-14H2,1-3H3,(H,22,25)
InChIKeyFYWAGWYFFNUQCB-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.08
Rot. Bonds13

About 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide (PubChem CID 19506830) has the molecular formula C18H32F2N4O and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
PubChem CID19506830
Molecular FormulaC18H32F2N4O
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC Name2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
SMILESCCCCCN(CCCCC)CC(C)NC(=O)c1ccnn1C(F)F
InChIInChI=1S/C18H32F2N4O/c1-4-6-8-12-23(13-9-7-5-2)14-15(3)22-17(25)16-10-11-21-24(16)18(19)20/h10-11,15,18H,4-9,12-14H2,1-3H3,(H,22,25)
InChIKeyFYWAGWYFFNUQCB-UHFFFAOYSA-N
XLogP4.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(dipentylamino)propan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 19475353
1-[2-(difluoromethyl)pyrazol-3-yl]octan-1-one
CID 134286429
N-[1-(dipentylamino)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414546
N-[1-(dipentylamino)propan-2-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534421
7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447221
2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19506929
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]propanamide
CID 19539421
1-[2-[1-(dipentylamino)propan-2-ylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502162
3-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]propanamide
CID 19561748
2-(4-bromopyrazol-1-yl)-N-[1-(dipentylamino)propan-2-yl]butanamide
CID 19551344
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19270531
2-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489807

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide (CID 19506830) is 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide is CCCCCN(CCCCC)CC(C)NC(=O)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide?
The InChIKey is FYWAGWYFFNUQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N4O/c1-4-6-8-12-23(13-9-7-5-2)14-15(3)22-17(25)16-10-11-21-24(16)18(19)20/h10-11,15,18H,4-9,12-14H2,1-3H3,(H,22,25).
What are the key properties of 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 4.08, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19506830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).