ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate

C9H15N3O2 — CID 58337019

IUPACethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NC(C)C
InChIInChI=1S/C9H15N3O2/c1-4-14-9(13)7-5-10-12-8(7)11-6(2)3/h5-6H,4H2,1-3H3,(H2,10,11,12)
InChIKeyLRVMEQUMPYPMAM-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.41
Rot. Bonds4

About ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate

ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate (PubChem CID 58337019) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate
PubChem CID58337019
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NC(C)C
InChIInChI=1S/C9H15N3O2/c1-4-14-9(13)7-5-10-12-8(7)11-6(2)3/h5-6H,4H2,1-3H3,(H2,10,11,12)
InChIKeyLRVMEQUMPYPMAM-UHFFFAOYSA-N
XLogP1.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate (CID 58337019) is ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1NC(C)C.
What is the InChIKey of ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is LRVMEQUMPYPMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-14-9(13)7-5-10-12-8(7)11-6(2)3/h5-6H,4H2,1-3H3,(H2,10,11,12).
What are the key properties of ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate?
ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 197.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(propan-2-ylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 58337019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).