(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C13H16N4O2 — CID 82876097

IUPAC(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCn1ccc(COC(=O)c2cc(N)cn2C2CC2)n1
InChIInChI=1S/C13H16N4O2/c1-16-5-4-10(15-16)8-19-13(18)12-6-9(14)7-17(12)11-2-3-11/h4-7,11H,2-3,8,14H2,1H3
InChIKeyNWGWDABWPSMXIF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.50
Rot. Bonds4

About (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 82876097) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID82876097
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESCn1ccc(COC(=O)c2cc(N)cn2C2CC2)n1
InChIInChI=1S/C13H16N4O2/c1-16-5-4-10(15-16)8-19-13(18)12-6-9(14)7-17(12)11-2-3-11/h4-7,11H,2-3,8,14H2,1H3
InChIKeyNWGWDABWPSMXIF-UHFFFAOYSA-N
XLogP1.50
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methyltriazol-4-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 107052158
4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 82881718
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308860
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65366812
2-hydroxyethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314738
(2,6-difluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 114933000
(2-chlorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308313
(5-chlorothiophen-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314370
(5-bromothiophen-2-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314371
(3-cyanophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61314737
(2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 62895487
3-methoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61309416

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 82876097) is (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is Cn1ccc(COC(=O)c2cc(N)cn2C2CC2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is NWGWDABWPSMXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-5-4-10(15-16)8-19-13(18)12-6-9(14)7-17(12)11-2-3-11/h4-7,11H,2-3,8,14H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 82876097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).