N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C17H24N4OS — CID 70729987

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N(C)Cc1n[nH]c2c1CCCCC2
InChIInChI=1S/C17H24N4OS/c1-12-16(23-11-18-12)8-9-17(22)21(2)10-15-13-6-4-3-5-7-14(13)19-20-15/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyWGWQDOMDPNDKDV-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.03
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 70729987) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID70729987
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N(C)Cc1n[nH]c2c1CCCCC2
InChIInChI=1S/C17H24N4OS/c1-12-16(23-11-18-12)8-9-17(22)21(2)10-15-13-6-4-3-5-7-14(13)19-20-15/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeyWGWQDOMDPNDKDV-UHFFFAOYSA-N
XLogP3.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 70729987) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)N(C)Cc1n[nH]c2c1CCCCC2.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is WGWQDOMDPNDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-16(23-11-18-12)8-9-17(22)21(2)10-15-13-6-4-3-5-7-14(13)19-20-15/h11H,3-10H2,1-2H3,(H,19,20).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 332.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 70729987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).