N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

C17H22N4OS — CID 118739377

IUPACN-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESO=C(NCC1CC1)C1CN(Cc2cccs2)Cc2ccnn2C1
InChIInChI=1S/C17H22N4OS/c22-17(18-8-13-3-4-13)14-9-20(12-16-2-1-7-23-16)11-15-5-6-19-21(15)10-14/h1-2,5-7,13-14H,3-4,8-12H2,(H,18,22)
InChIKeyHHMHSNTVWZRQHS-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.10
Rot. Bonds5

About N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (PubChem CID 118739377) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
PubChem CID118739377
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESO=C(NCC1CC1)C1CN(Cc2cccs2)Cc2ccnn2C1
InChIInChI=1S/C17H22N4OS/c22-17(18-8-13-3-4-13)14-9-20(12-16-2-1-7-23-16)11-15-5-6-19-21(15)10-14/h1-2,5-7,13-14H,3-4,8-12H2,(H,18,22)
InChIKeyHHMHSNTVWZRQHS-UHFFFAOYSA-N
XLogP2.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (CID 118739377) is N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is O=C(NCC1CC1)C1CN(Cc2cccs2)Cc2ccnn2C1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The InChIKey is HHMHSNTVWZRQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-17(18-8-13-3-4-13)14-9-20(12-16-2-1-7-23-16)11-15-5-6-19-21(15)10-14/h1-2,5-7,13-14H,3-4,8-12H2,(H,18,22).
What are the key properties of N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 118739377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).