N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide

C24H19F6N5O — CID 171104230

IUPACN-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCC(c1c(C#N)cnn1-c1ccccn1)N(CC1CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F6N5O/c1-14(21-17(11-31)12-33-35(21)20-4-2-3-7-32-20)34(13-15-5-6-15)22(36)16-8-18(23(25,26)27)10-19(9-16)24(28,29)30/h2-4,7-10,12,14-15H,5-6,13H2,1H3
InChIKeyNHAKITIMYIZTOF-UHFFFAOYSA-N
MW507.44 g/mol
LogP5.79
Rot. Bonds6

About N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide

N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 171104230) has the molecular formula C24H19F6N5O and a molecular weight of 507.44 g/mol. Its IUPAC name is N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID171104230
Molecular FormulaC24H19F6N5O
Molecular Weight507.44 g/mol
Exact Mass507.15
IUPAC NameN-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCC(c1c(C#N)cnn1-c1ccccn1)N(CC1CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H19F6N5O/c1-14(21-17(11-31)12-33-35(21)20-4-2-3-7-32-20)34(13-15-5-6-15)22(36)16-8-18(23(25,26)27)10-19(9-16)24(28,29)30/h2-4,7-10,12,14-15H,5-6,13H2,1H3
InChIKeyNHAKITIMYIZTOF-UHFFFAOYSA-N
XLogP5.79
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide (CID 171104230) is N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide is CC(c1c(C#N)cnn1-c1ccccn1)N(CC1CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is NHAKITIMYIZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N5O/c1-14(21-17(11-31)12-33-35(21)20-4-2-3-7-32-20)34(13-15-5-6-15)22(36)16-8-18(23(25,26)27)10-19(9-16)24(28,29)30/h2-4,7-10,12,14-15H,5-6,13H2,1H3.
What are the key properties of N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide?
N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 507.44 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)ethyl]-N-(cyclopropylmethyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 171104230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).