[5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate

C6H10N4O2 — CID 70271900

IUPAC[5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate
SMILESCn1nc(OC(N)=O)cc1CN
InChIInChI=1S/C6H10N4O2/c1-10-4(3-7)2-5(9-10)12-6(8)11/h2H,3,7H2,1H3,(H2,8,11)
InChIKeyRNCFOLQKVGJKDS-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.66
Rot. Bonds2

About [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate

[5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate (PubChem CID 70271900) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate.

Molecular Properties

Compound Name[5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate
PubChem CID70271900
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name[5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate
SMILESCn1nc(OC(N)=O)cc1CN
InChIInChI=1S/C6H10N4O2/c1-10-4(3-7)2-5(9-10)12-6(8)11/h2H,3,7H2,1H3,(H2,8,11)
InChIKeyRNCFOLQKVGJKDS-UHFFFAOYSA-N
XLogP-0.66
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate?
The IUPAC name of [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate (CID 70271900) is [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate.
What is the SMILES notation for [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate?
The canonical SMILES for [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate is Cn1nc(OC(N)=O)cc1CN.
What is the InChIKey of [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate?
The InChIKey is RNCFOLQKVGJKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-10-4(3-7)2-5(9-10)12-6(8)11/h2H,3,7H2,1H3,(H2,8,11).
What are the key properties of [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate?
[5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate has a molecular weight of 170.17 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-1-methylpyrazol-3-yl] carbamate is sourced from PubChem (CID 70271900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).