[2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate

C14H15N5O3 — CID 175384420

IUPAC[2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate
SMILESCC(=O)Nc1cc(OC(N)=O)c(-c2ccn(C3CC3)n2)cn1
InChIInChI=1S/C14H15N5O3/c1-8(20)17-13-6-12(22-14(15)21)10(7-16-13)11-4-5-19(18-11)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,15,21)(H,16,17,20)
InChIKeyWNCLIHLGFOULAJ-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.70
Rot. Bonds4

About [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate

[2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate (PubChem CID 175384420) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate.

Molecular Properties

Compound Name[2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate
PubChem CID175384420
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name[2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate
SMILESCC(=O)Nc1cc(OC(N)=O)c(-c2ccn(C3CC3)n2)cn1
InChIInChI=1S/C14H15N5O3/c1-8(20)17-13-6-12(22-14(15)21)10(7-16-13)11-4-5-19(18-11)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,15,21)(H,16,17,20)
InChIKeyWNCLIHLGFOULAJ-UHFFFAOYSA-N
XLogP1.70
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate?
The IUPAC name of [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate (CID 175384420) is [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate.
What is the SMILES notation for [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate?
The canonical SMILES for [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate is CC(=O)Nc1cc(OC(N)=O)c(-c2ccn(C3CC3)n2)cn1.
What is the InChIKey of [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate?
The InChIKey is WNCLIHLGFOULAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-8(20)17-13-6-12(22-14(15)21)10(7-16-13)11-4-5-19(18-11)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,15,21)(H,16,17,20).
What are the key properties of [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate?
[2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate has a molecular weight of 301.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-(1-cyclopropylpyrazol-3-yl)-4-pyridinyl] carbamate is sourced from PubChem (CID 175384420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).