(1-cyclopropylpyrazol-3-yl) carbamate

C7H9N3O2 — CID 175116070

IUPAC(1-cyclopropylpyrazol-3-yl) carbamate
SMILESNC(=O)Oc1ccn(C2CC2)n1
InChIInChI=1S/C7H9N3O2/c8-7(11)12-6-3-4-10(9-6)5-1-2-5/h3-5H,1-2H2,(H2,8,11)
InChIKeyBRZBTCVUJAHMDN-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.68
Rot. Bonds2

About (1-cyclopropylpyrazol-3-yl) carbamate

(1-cyclopropylpyrazol-3-yl) carbamate (PubChem CID 175116070) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (1-cyclopropylpyrazol-3-yl) carbamate.

Molecular Properties

Compound Name(1-cyclopropylpyrazol-3-yl) carbamate
PubChem CID175116070
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(1-cyclopropylpyrazol-3-yl) carbamate
SMILESNC(=O)Oc1ccn(C2CC2)n1
InChIInChI=1S/C7H9N3O2/c8-7(11)12-6-3-4-10(9-6)5-1-2-5/h3-5H,1-2H2,(H2,8,11)
InChIKeyBRZBTCVUJAHMDN-UHFFFAOYSA-N
XLogP0.68
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpyrazol-3-yl) carbamate?
The IUPAC name of (1-cyclopropylpyrazol-3-yl) carbamate (CID 175116070) is (1-cyclopropylpyrazol-3-yl) carbamate.
What is the SMILES notation for (1-cyclopropylpyrazol-3-yl) carbamate?
The canonical SMILES for (1-cyclopropylpyrazol-3-yl) carbamate is NC(=O)Oc1ccn(C2CC2)n1.
What is the InChIKey of (1-cyclopropylpyrazol-3-yl) carbamate?
The InChIKey is BRZBTCVUJAHMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7(11)12-6-3-4-10(9-6)5-1-2-5/h3-5H,1-2H2,(H2,8,11).
What are the key properties of (1-cyclopropylpyrazol-3-yl) carbamate?
(1-cyclopropylpyrazol-3-yl) carbamate has a molecular weight of 167.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpyrazol-3-yl) carbamate is sourced from PubChem (CID 175116070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).