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

C15H19ClN6O — CID 119699668

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CCNC1
InChIInChI=1S/C15H18N6O.ClH/c22-15(11-6-7-16-9-11)17-12-3-1-2-10(8-12)14-18-19-20-21(14)13-4-5-13;/h1-3,8,11,13,16H,4-7,9H2,(H,17,22);1H
InChIKeyDJUPCDGXVKWLDS-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.64
Rot. Bonds4

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

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119699668) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119699668
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CCNC1
InChIInChI=1S/C15H18N6O.ClH/c22-15(11-6-7-16-9-11)17-12-3-1-2-10(8-12)14-18-19-20-21(14)13-4-5-13;/h1-3,8,11,13,16H,4-7,9H2,(H,17,22);1H
InChIKeyDJUPCDGXVKWLDS-UHFFFAOYSA-N
XLogP1.64
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 119699623
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 119276607
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119699629
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119699613
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide
CID 119699654
1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 35367747
N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119733107
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119699668) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CCNC1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DJUPCDGXVKWLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O.ClH/c22-15(11-6-7-16-9-11)17-12-3-1-2-10(8-12)14-18-19-20-21(14)13-4-5-13;/h1-3,8,11,13,16H,4-7,9H2,(H,17,22);1H.
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119699668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).