N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

C16H19N9O — CID 78084580

IUPACN-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCN(Cc1cccc(-n2cccn2)c1)C(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C16H19N9O/c1-23(10-12-4-2-5-13(8-12)24-7-3-6-19-24)16(26)14-9-17-20-15(14)25-11-18-21-22-25/h2-8,11,14-15,17,20H,9-10H2,1H3
InChIKeyNZIHDPYDUISPTB-UHFFFAOYSA-N
MW353.39 g/mol
LogP-0.26
Rot. Bonds5

About N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (PubChem CID 78084580) has the molecular formula C16H19N9O and a molecular weight of 353.39 g/mol. Its IUPAC name is N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
PubChem CID78084580
Molecular FormulaC16H19N9O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC NameN-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESCN(Cc1cccc(-n2cccn2)c1)C(=O)C1CNNC1n1cnnn1
InChIInChI=1S/C16H19N9O/c1-23(10-12-4-2-5-13(8-12)24-7-3-6-19-24)16(26)14-9-17-20-15(14)25-11-18-21-22-25/h2-8,11,14-15,17,20H,9-10H2,1H3
InChIKeyNZIHDPYDUISPTB-UHFFFAOYSA-N
XLogP-0.26
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 70750518
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
N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 126440496
4-(4-fluorophenyl)-N-methyl-4-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]butanamide
CID 70738182
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70750092
N,2-dimethyl-3-morpholin-4-yl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 91843383
N,3,5-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 90649991
3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 72863298
3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 70711091
N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
CID 70786181
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 70769748

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (CID 78084580) is N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is CN(Cc1cccc(-n2cccn2)c1)C(=O)C1CNNC1n1cnnn1.
What is the InChIKey of N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The InChIKey is NZIHDPYDUISPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N9O/c1-23(10-12-4-2-5-13(8-12)24-7-3-6-19-24)16(26)14-9-17-20-15(14)25-11-18-21-22-25/h2-8,11,14-15,17,20H,9-10H2,1H3.
What are the key properties of N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide has a molecular weight of 353.39 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 78084580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).