N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide

C17H25N5O — CID 50962184

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2n[nH]c3c2CCCCC3)c1C
InChIInChI=1S/C17H25N5O/c1-3-9-22-12(2)14(10-19-22)17(23)18-11-16-13-7-5-4-6-8-15(13)20-21-16/h10H,3-9,11H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyWVLLWSLMCQGBNU-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.52
Rot. Bonds5

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

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 50962184) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID50962184
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2n[nH]c3c2CCCCC3)c1C
InChIInChI=1S/C17H25N5O/c1-3-9-22-12(2)14(10-19-22)17(23)18-11-16-13-7-5-4-6-8-15(13)20-21-16/h10H,3-9,11H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyWVLLWSLMCQGBNU-UHFFFAOYSA-N
XLogP2.52
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
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)-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide (CID 50962184) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCc2n[nH]c3c2CCCCC3)c1C.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is WVLLWSLMCQGBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-9-22-12(2)14(10-19-22)17(23)18-11-16-13-7-5-4-6-8-15(13)20-21-16/h10H,3-9,11H2,1-2H3,(H,18,23)(H,20,21).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 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)-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 50962184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).