N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene

C21H20ClN5O2 — CID 171540349

IUPACN-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1cccc2cc[nH]c12
InChIInChI=1S/C15H15N5O2.C6H5Cl/c16-12(21)5-7-18-15(22)11-8-19-20-14(11)10-3-1-2-9-4-6-17-13(9)10;7-6-4-2-1-3-5-6/h1-4,6,8,17H,5,7H2,(H2,16,21)(H,18,22)(H,19,20);1-5H
InChIKeyPQLRJLYKRPWZCW-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.50
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene

N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene (PubChem CID 171540349) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
PubChem CID171540349
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC NameN-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1cccc2cc[nH]c12
InChIInChI=1S/C15H15N5O2.C6H5Cl/c16-12(21)5-7-18-15(22)11-8-19-20-14(11)10-3-1-2-9-4-6-17-13(9)10;7-6-4-2-1-3-5-6/h1-4,6,8,17H,5,7H2,(H2,16,21)(H,18,22)(H,19,20);1-5H
InChIKeyPQLRJLYKRPWZCW-UHFFFAOYSA-N
XLogP3.50
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171539298
N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540110
N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 155951273
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134
2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
CID 171539676
N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 171539842
chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
CID 171540298
N-(3-amino-3-oxopropyl)-5-[2-(prop-2-enoylamino)ethynyl]-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171539175
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene
CID 171539568
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene (CID 171540349) is N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene is Clc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1cccc2cc[nH]c12.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene?
The InChIKey is PQLRJLYKRPWZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.C6H5Cl/c16-12(21)5-7-18-15(22)11-8-19-20-14(11)10-3-1-2-9-4-6-17-13(9)10;7-6-4-2-1-3-5-6/h1-4,6,8,17H,5,7H2,(H2,16,21)(H,18,22)(H,19,20);1-5H.
What are the key properties of N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene?
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene has a molecular weight of 409.88 g/mol, XLogP of 3.50, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene is sourced from PubChem (CID 171540349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).