N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C15H18Cl2N6O — CID 119795291

IUPACN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)C1CCNC1
InChIInChI=1S/C15H17ClN6O.ClH/c16-12-4-3-11(18-15(23)10-5-6-17-8-10)7-13(12)22-14(9-1-2-9)19-20-21-22;/h3-4,7,9-10,17H,1-2,5-6,8H2,(H,18,23);1H
InChIKeyAMWNTQXDVCCRCF-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.16
Rot. Bonds4

About N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119795291) has the molecular formula C15H18Cl2N6O and a molecular weight of 369.26 g/mol. Its IUPAC name is N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119795291
Molecular FormulaC15H18Cl2N6O
Molecular Weight369.26 g/mol
Exact Mass368.09
IUPAC NameN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)C1CCNC1
InChIInChI=1S/C15H17ClN6O.ClH/c16-12-4-3-11(18-15(23)10-5-6-17-8-10)7-13(12)22-14(9-1-2-9)19-20-21-22;/h3-4,7,9-10,17H,1-2,5-6,8H2,(H,18,23);1H
InChIKeyAMWNTQXDVCCRCF-UHFFFAOYSA-N
XLogP2.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
CID 119330131
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 126795852
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 119330139
N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119733107
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95777482
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119742686
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-[3-chloro-4-(dimethylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151167

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119795291) is N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)C1CCNC1.
What is the InChIKey of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is AMWNTQXDVCCRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O.ClH/c16-12-4-3-11(18-15(23)10-5-6-17-8-10)7-13(12)22-14(9-1-2-9)19-20-21-22;/h3-4,7,9-10,17H,1-2,5-6,8H2,(H,18,23);1H.
What are the key properties of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 369.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119795291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).