2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid

C15H17N7O3 — CID 19500802

IUPAC2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1nn(C)cc1Cn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C15H17N7O3/c1-10-12(5-20(2)19-10)7-21-8-13(4-17-21)18-15(25)11-3-16-22(6-11)9-14(23)24/h3-6,8H,7,9H2,1-2H3,(H,18,25)(H,23,24)
InChIKeyDPHMOBMRIWKDSP-UHFFFAOYSA-N
MW343.35 g/mol
LogP0.51
Rot. Bonds6

About 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid

2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500802) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500802
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1nn(C)cc1Cn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C15H17N7O3/c1-10-12(5-20(2)19-10)7-21-8-13(4-17-21)18-15(25)11-3-16-22(6-11)9-14(23)24/h3-6,8H,7,9H2,1-2H3,(H,18,25)(H,23,24)
InChIKeyDPHMOBMRIWKDSP-UHFFFAOYSA-N
XLogP0.51
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-[[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500803
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092780
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
2-[4-[(4-methoxy-3,5-dimethylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 138002030
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
2-[4-[(3,5-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500464
2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61019180
2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
2-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500485

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19500802) is 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is Cc1nn(C)cc1Cn1cc(NC(=O)c2cnn(CC(=O)O)c2)cn1.
What is the InChIKey of 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is DPHMOBMRIWKDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-10-12(5-20(2)19-10)7-21-8-13(4-17-21)18-15(25)11-3-16-22(6-11)9-14(23)24/h3-6,8H,7,9H2,1-2H3,(H,18,25)(H,23,24).
What are the key properties of 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 343.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).