4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide

C19H23F2N5O2 — CID 58696395

IUPAC4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)C1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C19H23F2N5O2/c1-26(2)12-8-6-11(7-9-12)23-19(28)17-15(10-22-25-17)24-18(27)16-13(20)4-3-5-14(16)21/h3-5,10-12H,6-9H2,1-2H3,(H,22,25)(H,23,28)(H,24,27)
InChIKeyVHVODLLVMWFLRS-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.54
Rot. Bonds5

About 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide

4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 58696395) has the molecular formula C19H23F2N5O2 and a molecular weight of 391.42 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID58696395
Molecular FormulaC19H23F2N5O2
Molecular Weight391.42 g/mol
Exact Mass391.18
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)C1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C19H23F2N5O2/c1-26(2)12-8-6-11(7-9-12)23-19(28)17-15(10-22-25-17)24-18(27)16-13(20)4-3-5-14(16)21/h3-5,10-12H,6-9H2,1-2H3,(H,22,25)(H,23,28)(H,24,27)
InChIKeyVHVODLLVMWFLRS-UHFFFAOYSA-N
XLogP2.54
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide (CID 58696395) is 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide is CN(C)C1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VHVODLLVMWFLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2/c1-26(2)12-8-6-11(7-9-12)23-19(28)17-15(10-22-25-17)24-18(27)16-13(20)4-3-5-14(16)21/h3-5,10-12H,6-9H2,1-2H3,(H,22,25)(H,23,28)(H,24,27).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58696395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).