N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

C15H27N9O — CID 134127512

IUPACN-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCN(CC1NNC2CCCCCC21)C(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C15H27N9O/c1-23(8-13-10-5-3-2-4-6-12(10)18-19-13)15(25)11-7-16-20-14(11)24-9-17-21-22-24/h9-14,16,18-20H,2-8H2,1H3
InChIKeyQEUYKBWPVJIOAY-UHFFFAOYSA-N
MW349.44 g/mol
LogP-1.22
Rot. Bonds4

About N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (PubChem CID 134127512) has the molecular formula C15H27N9O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
PubChem CID134127512
Molecular FormulaC15H27N9O
Molecular Weight349.44 g/mol
Exact Mass349.23
IUPAC NameN-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCN(CC1NNC2CCCCCC21)C(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C15H27N9O/c1-23(8-13-10-5-3-2-4-6-12(10)18-19-13)15(25)11-7-16-20-14(11)24-9-17-21-22-24/h9-14,16,18-20H,2-8H2,1H3
InChIKeyQEUYKBWPVJIOAY-UHFFFAOYSA-N
XLogP-1.22
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (CID 134127512) is N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is CN(CC1NNC2CCCCCC21)C(=O)C1CNNC1n1cnnn1.
What is the InChIKey of N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The InChIKey is QEUYKBWPVJIOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N9O/c1-23(8-13-10-5-3-2-4-6-12(10)18-19-13)15(25)11-7-16-20-14(11)24-9-17-21-22-24/h9-14,16,18-20H,2-8H2,1H3.
What are the key properties of N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of -1.22, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 134127512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).