N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C13H17ClN6O — CID 119733107

IUPACN-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1nnnn1-c1cccc(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C13H16N6O.ClH/c1-9-16-17-18-19(9)12-4-2-3-11(7-12)15-13(20)10-5-6-14-8-10;/h2-4,7,10,14H,5-6,8H2,1H3,(H,15,20);1H
InChIKeyKAGYUGRGVMHHID-UHFFFAOYSA-N
MW308.77 g/mol
LogP0.94
Rot. Bonds3

About N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119733107) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119733107
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC NameN-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1nnnn1-c1cccc(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C13H16N6O.ClH/c1-9-16-17-18-19(9)12-4-2-3-11(7-12)15-13(20)10-5-6-14-8-10;/h2-4,7,10,14H,5-6,8H2,1H3,(H,15,20);1H
InChIKeyKAGYUGRGVMHHID-UHFFFAOYSA-N
XLogP0.94
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
1-cyclopentyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 131937197
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699668
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79209042
1-[(4-methoxyphenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 92613775
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 136576817
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
N-[3-(5-methyltetrazol-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 131947377
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119733107) is N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1nnnn1-c1cccc(NC(=O)C2CCNC2)c1.Cl.
What is the InChIKey of N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is KAGYUGRGVMHHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O.ClH/c1-9-16-17-18-19(9)12-4-2-3-11(7-12)15-13(20)10-5-6-14-8-10;/h2-4,7,10,14H,5-6,8H2,1H3,(H,15,20);1H.
What are the key properties of N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 308.77 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119733107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).