N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide

C20H25FN4O — CID 72895141

IUPACN-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide
SMILESO=C(CCc1cc2n(n1)CCCN(Cc1ccccc1F)C2)NC1CC1
InChIInChI=1S/C20H25FN4O/c21-19-5-2-1-4-15(19)13-24-10-3-11-25-18(14-24)12-17(23-25)8-9-20(26)22-16-6-7-16/h1-2,4-5,12,16H,3,6-11,13-14H2,(H,22,26)
InChIKeyONSTXKPXNNSSHX-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.64
Rot. Bonds6

About N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide

N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide (PubChem CID 72895141) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide
PubChem CID72895141
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC NameN-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide
SMILESO=C(CCc1cc2n(n1)CCCN(Cc1ccccc1F)C2)NC1CC1
InChIInChI=1S/C20H25FN4O/c21-19-5-2-1-4-15(19)13-24-10-3-11-25-18(14-24)12-17(23-25)8-9-20(26)22-16-6-7-16/h1-2,4-5,12,16H,3,6-11,13-14H2,(H,22,26)
InChIKeyONSTXKPXNNSSHX-UHFFFAOYSA-N
XLogP2.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide (CID 72895141) is N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide is O=C(CCc1cc2n(n1)CCCN(Cc1ccccc1F)C2)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide?
The InChIKey is ONSTXKPXNNSSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-19-5-2-1-4-15(19)13-24-10-3-11-25-18(14-24)12-17(23-25)8-9-20(26)22-16-6-7-16/h1-2,4-5,12,16H,3,6-11,13-14H2,(H,22,26).
What are the key properties of N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide?
N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide has a molecular weight of 356.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-[(2-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanamide is sourced from PubChem (CID 72895141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).