4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid

C13H18N4O2 — CID 104729693

IUPAC4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid
SMILESCC(C)CC(CNc1nccn2nccc12)C(=O)O
InChIInChI=1S/C13H18N4O2/c1-9(2)7-10(13(18)19)8-15-12-11-3-4-16-17(11)6-5-14-12/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYPLBQAXSFBUIEI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.89
Rot. Bonds6

About 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid

4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid (PubChem CID 104729693) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid
PubChem CID104729693
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid
SMILESCC(C)CC(CNc1nccn2nccc12)C(=O)O
InChIInChI=1S/C13H18N4O2/c1-9(2)7-10(13(18)19)8-15-12-11-3-4-16-17(11)6-5-14-12/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyYPLBQAXSFBUIEI-UHFFFAOYSA-N
XLogP1.89
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
CID 104732075
N-(2,3-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731641
N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 114168556
N-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
CID 104730607
2-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]butanoic acid
CID 104729603
2-methyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoic acid
CID 104729413
4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine
CID 113446473
2-methyl-1-N-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,2-diamine
CID 104732795
N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
CID 104732080
6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid
CID 104729297
4,4-dimethyl-6-(pyrazolo[1,5-a]pyrazin-4-ylamino)hexanoic acid
CID 104729611
2,2-dimethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104734329

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid (CID 104729693) is 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid is CC(C)CC(CNc1nccn2nccc12)C(=O)O.
What is the InChIKey of 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid?
The InChIKey is YPLBQAXSFBUIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)7-10(13(18)19)8-15-12-11-3-4-16-17(11)6-5-14-12/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid?
4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]pentanoic acid is sourced from PubChem (CID 104729693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).