5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide

C20H19ClN6O2 — CID 121364657

IUPAC5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide
SMILESNc1c(C(=O)NCCOc2cccc(Cl)c2)cnn1Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C20H19ClN6O2/c21-15-2-1-3-16(9-15)29-7-6-23-20(28)17-11-25-27(19(17)22)12-13-4-5-18-14(8-13)10-24-26-18/h1-5,8-11H,6-7,12,22H2,(H,23,28)(H,24,26)
InChIKeyPKPGYVUOAXVWSZ-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.85
Rot. Bonds7

About 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide

5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide (PubChem CID 121364657) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide
PubChem CID121364657
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide
SMILESNc1c(C(=O)NCCOc2cccc(Cl)c2)cnn1Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C20H19ClN6O2/c21-15-2-1-3-16(9-15)29-7-6-23-20(28)17-11-25-27(19(17)22)12-13-4-5-18-14(8-13)10-24-26-18/h1-5,8-11H,6-7,12,22H2,(H,23,28)(H,24,26)
InChIKeyPKPGYVUOAXVWSZ-UHFFFAOYSA-N
XLogP2.85
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 86815974
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
N-[2-[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenoxy]ethyl]acetamide
CID 59159156
3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 121364648
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
3-amino-N-[2-(3-chlorophenoxy)ethyl]-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 121364564
N-[2-(3-chlorophenoxy)ethyl]-3-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121364647
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide (CID 121364657) is 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide is Nc1c(C(=O)NCCOc2cccc(Cl)c2)cnn1Cc1ccc2[nH]ncc2c1.
What is the InChIKey of 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is PKPGYVUOAXVWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c21-15-2-1-3-16(9-15)29-7-6-23-20(28)17-11-25-27(19(17)22)12-13-4-5-18-14(8-13)10-24-26-18/h1-5,8-11H,6-7,12,22H2,(H,23,28)(H,24,26).
What are the key properties of 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide?
5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 121364657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).