N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide

C17H21N7O2 — CID 125165825

IUPACN-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1ccccc1-n1cc([C@H](C)NC(=O)CCn2nnnc2C)cn1
InChIInChI=1S/C17H21N7O2/c1-12(19-17(25)8-9-23-13(2)20-21-22-23)14-10-18-24(11-14)15-6-4-5-7-16(15)26-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,25)/t12-/m0/s1
InChIKeyKHEFSYJABGGYOF-LBPRGKRZSA-N
MW355.40 g/mol
LogP1.44
Rot. Bonds7

About N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 125165825) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID125165825
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC NameN-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1ccccc1-n1cc([C@H](C)NC(=O)CCn2nnnc2C)cn1
InChIInChI=1S/C17H21N7O2/c1-12(19-17(25)8-9-23-13(2)20-21-22-23)14-10-18-24(11-14)15-6-4-5-7-16(15)26-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,25)/t12-/m0/s1
InChIKeyKHEFSYJABGGYOF-LBPRGKRZSA-N
XLogP1.44
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125445589
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125443355
N-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131939708
1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125444856
3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methyl-1-[(3-methyloxetan-3-yl)methyl]urea
CID 125436564
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-methylurea
CID 125444228
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91795241
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91784996
2-cyclopropyl-N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97122212
3-(5-methyltetrazol-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46960745
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
N-[furan-2-yl(phenyl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 125165825) is N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide is COc1ccccc1-n1cc([C@H](C)NC(=O)CCn2nnnc2C)cn1.
What is the InChIKey of N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is KHEFSYJABGGYOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-12(19-17(25)8-9-23-13(2)20-21-22-23)14-10-18-24(11-14)15-6-4-5-7-16(15)26-3/h4-7,10-12H,8-9H2,1-3H3,(H,19,25)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 355.40 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 125165825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).