(1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C18H25FN6O — CID 56889070

IUPAC(1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCCn2nc(CN3CC[C@H](F)C3)cc2C1
InChIInChI=1S/C18H25FN6O/c1-13-17(12-22(2)20-13)18(26)24-5-3-6-25-16(11-24)8-15(21-25)10-23-7-4-14(19)9-23/h8,12,14H,3-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyIKQFXUCHJBEMRB-AWEZNQCLSA-N
MW360.44 g/mol
LogP1.51
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 56889070) has the molecular formula C18H25FN6O and a molecular weight of 360.44 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID56889070
Molecular FormulaC18H25FN6O
Molecular Weight360.44 g/mol
Exact Mass360.21
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCCn2nc(CN3CC[C@H](F)C3)cc2C1
InChIInChI=1S/C18H25FN6O/c1-13-17(12-22(2)20-13)18(26)24-5-3-6-25-16(11-24)8-15(21-25)10-23-7-4-14(19)9-23/h8,12,14H,3-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyIKQFXUCHJBEMRB-AWEZNQCLSA-N
XLogP1.51
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 56889070) is (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is Cc1nn(C)cc1C(=O)N1CCCn2nc(CN3CC[C@H](F)C3)cc2C1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is IKQFXUCHJBEMRB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25FN6O/c1-13-17(12-22(2)20-13)18(26)24-5-3-6-25-16(11-24)8-15(21-25)10-23-7-4-14(19)9-23/h8,12,14H,3-7,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 360.44 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 56889070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).