5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid

C12H17N5O2 — CID 114140001

IUPAC5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NCc2cnn(C)c2C)c1C(=O)O
InChIInChI=1S/C12H17N5O2/c1-7-10(12(18)19)11(17(4)15-7)13-5-9-6-14-16(3)8(9)2/h6,13H,5H2,1-4H3,(H,18,19)
InChIKeyYSMVDGPHHKBBHF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.08
Rot. Bonds4

About 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid

5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 114140001) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID114140001
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NCc2cnn(C)c2C)c1C(=O)O
InChIInChI=1S/C12H17N5O2/c1-7-10(12(18)19)11(17(4)15-7)13-5-9-6-14-16(3)8(9)2/h6,13H,5H2,1-4H3,(H,18,19)
InChIKeyYSMVDGPHHKBBHF-UHFFFAOYSA-N
XLogP1.08
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 106034545
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723
1,3-dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)pyrazole-4-carboxylic acid
CID 106409581
1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazole-4-carboxylic acid
CID 63757916
1,3-dimethyl-5-(prop-2-ynylamino)pyrazole-4-carboxylic acid
CID 63758259
1,3-dimethyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyrazole-4-carboxylic acid
CID 63757598
5-[(3-chlorophenyl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63757585
5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide
CID 79531367
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,3-difluorobenzoic acid
CID 106042688
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
2-chloro-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoic acid
CID 106042702
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-fluorobenzoic acid
CID 79578811

Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid (CID 114140001) is 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid is Cc1nn(C)c(NCc2cnn(C)c2C)c1C(=O)O.
What is the InChIKey of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is YSMVDGPHHKBBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7-10(12(18)19)11(17(4)15-7)13-5-9-6-14-16(3)8(9)2/h6,13H,5H2,1-4H3,(H,18,19).
What are the key properties of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 114140001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).