3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C10H15ClN4O — CID 170622243

IUPAC3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCNC(=O)c1nn2c(c1Cl)CNCCC2
InChIInChI=1S/C10H15ClN4O/c1-2-13-10(16)9-8(11)7-6-12-4-3-5-15(7)14-9/h12H,2-6H2,1H3,(H,13,16)
InChIKeyYWOJMAZIRFKHSW-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.78
Rot. Bonds2

About 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 170622243) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID170622243
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCNC(=O)c1nn2c(c1Cl)CNCCC2
InChIInChI=1S/C10H15ClN4O/c1-2-13-10(16)9-8(11)7-6-12-4-3-5-15(7)14-9/h12H,2-6H2,1H3,(H,13,16)
InChIKeyYWOJMAZIRFKHSW-UHFFFAOYSA-N
XLogP0.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 170622243) is 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CCNC(=O)c1nn2c(c1Cl)CNCCC2.
What is the InChIKey of 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is YWOJMAZIRFKHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-2-13-10(16)9-8(11)7-6-12-4-3-5-15(7)14-9/h12H,2-6H2,1H3,(H,13,16).
What are the key properties of 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 170622243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).