7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H14ClF2N3O2 — CID 154850397

IUPAC7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)C1COc2cc(Cl)ccc2C1
InChIInChI=1S/C19H14ClF2N3O2/c20-13-2-1-10-3-12(9-27-17(10)6-13)19(26)23-18-8-16(24-25-18)11-4-14(21)7-15(22)5-11/h1-2,4-8,12H,3,9H2,(H2,23,24,25,26)
InChIKeyHSEMLAVMABOPPR-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.20
Rot. Bonds3

About 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide

7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 154850397) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID154850397
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)C1COc2cc(Cl)ccc2C1
InChIInChI=1S/C19H14ClF2N3O2/c20-13-2-1-10-3-12(9-27-17(10)6-13)19(26)23-18-8-16(24-25-18)11-4-14(21)7-15(22)5-11/h1-2,4-8,12H,3,9H2,(H2,23,24,25,26)
InChIKeyHSEMLAVMABOPPR-UHFFFAOYSA-N
XLogP4.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 154850397) is 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)C1COc2cc(Cl)ccc2C1.
What is the InChIKey of 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is HSEMLAVMABOPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c20-13-2-1-10-3-12(9-27-17(10)6-13)19(26)23-18-8-16(24-25-18)11-4-14(21)7-15(22)5-11/h1-2,4-8,12H,3,9H2,(H2,23,24,25,26).
What are the key properties of 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 389.79 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 154850397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).