methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate

C9H13N3O2 — CID 83907784

IUPACmethyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate
SMILESCOC(=O)C1(N)CCc2c1cnn2C
InChIInChI=1S/C9H13N3O2/c1-12-7-3-4-9(10,8(13)14-2)6(7)5-11-12/h5H,3-4,10H2,1-2H3
InChIKeyUBZDNJPRPBMJMY-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.31
Rot. Bonds1

About methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate

methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate (PubChem CID 83907784) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate
PubChem CID83907784
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate
SMILESCOC(=O)C1(N)CCc2c1cnn2C
InChIInChI=1S/C9H13N3O2/c1-12-7-3-4-9(10,8(13)14-2)6(7)5-11-12/h5H,3-4,10H2,1-2H3
InChIKeyUBZDNJPRPBMJMY-UHFFFAOYSA-N
XLogP-0.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-amino-3-(1,5-dimethylpyrazol-4-yl)-4-methylpentanoate
CID 79595574
2-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)acetic acid
CID 82409114
2-Methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 82414342
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861433
1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-4-carboxylic acid
CID 83861578
2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 83861582
methyl 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylate
CID 83906472
4-Amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylic acid
CID 83906476
4-Amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylic acid
CID 83906477
Methyl 4-amino-2-methyl-5,6-dihydrocyclopenta[c]pyrazole-4-carboxylate
CID 83907783
2-[4-(Aminomethyl)-2-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-yl]acetic acid
CID 83909312
2-[4-(Aminomethyl)-1-methyl-5,6-dihydrocyclopenta[d]pyrazol-4-yl]acetic acid
CID 83909313

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate?
The IUPAC name of methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate (CID 83907784) is methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate?
The canonical SMILES for methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate is COC(=O)C1(N)CCc2c1cnn2C.
What is the InChIKey of methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate?
The InChIKey is UBZDNJPRPBMJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-7-3-4-9(10,8(13)14-2)6(7)5-11-12/h5H,3-4,10H2,1-2H3.
What are the key properties of methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate?
methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate has a molecular weight of 195.22 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-methyl-5,6-dihydrocyclopenta[d]pyrazole-4-carboxylate is sourced from PubChem (CID 83907784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).