N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

C15H28N8O — CID 75257011

IUPACN-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCCN(CCN1CCCCCC1)C(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C15H28N8O/c1-2-22(10-9-21-7-5-3-4-6-8-21)15(24)13-11-16-18-14(13)23-12-17-19-20-23/h12-14,16,18H,2-11H2,1H3
InChIKeyADWSWAQVMWAVQL-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.38
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (PubChem CID 75257011) has the molecular formula C15H28N8O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
PubChem CID75257011
Molecular FormulaC15H28N8O
Molecular Weight336.44 g/mol
Exact Mass336.24
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCCN(CCN1CCCCCC1)C(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C15H28N8O/c1-2-22(10-9-21-7-5-3-4-6-8-21)15(24)13-11-16-18-14(13)23-12-17-19-20-23/h12-14,16,18H,2-11H2,1H3
InChIKeyADWSWAQVMWAVQL-UHFFFAOYSA-N
XLogP-0.38
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(Cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
CID 76421338
N-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 77853638
N-{(1S*,2R*)-2-[(1-isopropyl-4-piperidinyl)amino]cyclobutyl}-3-(1H-tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 133131875
N-[3-(3,5-dimethylpyrazolidin-4-yl)propyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 133266682
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 133266877
N-(3-azepan-1-ylpropyl)-N-methyl-5-(1H-tetrazol-1-yl)-1H-pyrazole-3-carboxamide
CID 133547085
(1S*,6R*)-3-{[5-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}-3,9-diazabicyclo[4.2.1]nonane
CID 133587933

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (CID 75257011) is N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is CCN(CCN1CCCCCC1)C(=O)C1CNNC1n1cnnn1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The InChIKey is ADWSWAQVMWAVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N8O/c1-2-22(10-9-21-7-5-3-4-6-8-21)15(24)13-11-16-18-14(13)23-12-17-19-20-23/h12-14,16,18H,2-11H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 75257011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).