N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C19H25N7O2 — CID 71159241

IUPACN-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(OCCN)c(-c3c(N)cnn3C)c2)n[nH]1
InChIInChI=1S/C19H25N7O2/c1-11(2)15-9-16(25-24-15)19(27)23-12-4-5-17(28-7-6-20)13(8-12)18-14(21)10-22-26(18)3/h4-5,8-11H,6-7,20-21H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyGDZCUOWGPFHRMC-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.11
Rot. Bonds7

About N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 71159241) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID71159241
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC NameN-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(OCCN)c(-c3c(N)cnn3C)c2)n[nH]1
InChIInChI=1S/C19H25N7O2/c1-11(2)15-9-16(25-24-15)19(27)23-12-4-5-17(28-7-6-20)13(8-12)18-14(21)10-22-26(18)3/h4-5,8-11H,6-7,20-21H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyGDZCUOWGPFHRMC-UHFFFAOYSA-N
XLogP2.11
TPSA136.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-chlorothiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67265916
N-[4-(2-aminoethoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-3-fluoropyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 67265638
propan-2-yl N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]carbamate
CID 69368505
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperazin-1-ylethoxy)phenyl]-2,4-difluorobenzamide
CID 66928274
2-methylpropyl N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]carbamate
CID 66927760
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyridin-4-ylethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 11548218
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CID 66928715
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 66927767
N-[4-[(2S)-2-amino-2-cyclohexylethoxy]-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24890277
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl]-4-methylpentanamide
CID 66927844
N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119420641
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]-3-(4-chlorophenyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 71159241) is N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccc(OCCN)c(-c3c(N)cnn3C)c2)n[nH]1.
What is the InChIKey of N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GDZCUOWGPFHRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-11(2)15-9-16(25-24-15)19(27)23-12-4-5-17(28-7-6-20)13(8-12)18-14(21)10-22-26(18)3/h4-5,8-11H,6-7,20-21H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-3-(4-amino-1-methylpyrazol-5-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71159241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).