3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide

C11H18N4O2 — CID 125444395

IUPAC3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCC[C@H]2CCCOC2)[nH]n1
InChIInChI=1S/C11H18N4O2/c12-10-6-9(14-15-10)11(16)13-4-3-8-2-1-5-17-7-8/h6,8H,1-5,7H2,(H,13,16)(H3,12,14,15)/t8-/m1/s1
InChIKeyRLOBIUBXMOBKNU-MRVPVSSYSA-N
MW238.29 g/mol
LogP0.54
Rot. Bonds4

About 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 125444395) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID125444395
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCC[C@H]2CCCOC2)[nH]n1
InChIInChI=1S/C11H18N4O2/c12-10-6-9(14-15-10)11(16)13-4-3-8-2-1-5-17-7-8/h6,8H,1-5,7H2,(H,13,16)(H3,12,14,15)/t8-/m1/s1
InChIKeyRLOBIUBXMOBKNU-MRVPVSSYSA-N
XLogP0.54
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide (CID 125444395) is 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCC[C@H]2CCCOC2)[nH]n1.
What is the InChIKey of 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is RLOBIUBXMOBKNU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-10-6-9(14-15-10)11(16)13-4-3-8-2-1-5-17-7-8/h6,8H,1-5,7H2,(H,13,16)(H3,12,14,15)/t8-/m1/s1.
What are the key properties of 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(3R)-oxan-3-yl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 125444395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).