N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide

C22H21N7O — CID 3858105

IUPACN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide
SMILESCc1cn(CCC(=O)Nc2cnn(Cn3nnc4ccccc43)c2)c2ccccc12
InChIInChI=1S/C22H21N7O/c1-16-13-27(20-8-4-2-6-18(16)20)11-10-22(30)24-17-12-23-28(14-17)15-29-21-9-5-3-7-19(21)25-26-29/h2-9,12-14H,10-11,15H2,1H3,(H,24,30)
InChIKeyXOKULGSBDJZMTB-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide

N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide (PubChem CID 3858105) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide
PubChem CID3858105
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide
SMILESCc1cn(CCC(=O)Nc2cnn(Cn3nnc4ccccc43)c2)c2ccccc12
InChIInChI=1S/C22H21N7O/c1-16-13-27(20-8-4-2-6-18(16)20)11-10-22(30)24-17-12-23-28(14-17)15-29-21-9-5-3-7-19(21)25-26-29/h2-9,12-14H,10-11,15H2,1H3,(H,24,30)
InChIKeyXOKULGSBDJZMTB-UHFFFAOYSA-N
XLogP3.43
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 3765272
[1-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl] N-phenylcarbamate
CID 4679697
3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 56762237
methyl (1S,6R)-6-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 74224833
N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 3762112
1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-bromophenyl)thiourea
CID 3834937
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide
CID 95744353
(2R,3R)-N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 74225499
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide
CID 95744356
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
3-(benzotriazol-1-yl)-N-(3-methoxyphenyl)propanamide
CID 863088

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide?
The IUPAC name of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide (CID 3858105) is N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide.
What is the SMILES notation for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide?
The canonical SMILES for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide is Cc1cn(CCC(=O)Nc2cnn(Cn3nnc4ccccc43)c2)c2ccccc12.
What is the InChIKey of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide?
The InChIKey is XOKULGSBDJZMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-16-13-27(20-8-4-2-6-18(16)20)11-10-22(30)24-17-12-23-28(14-17)15-29-21-9-5-3-7-19(21)25-26-29/h2-9,12-14H,10-11,15H2,1H3,(H,24,30).
What are the key properties of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide?
N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide has a molecular weight of 399.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(3-methylindol-1-yl)propanamide is sourced from PubChem (CID 3858105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).