5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide

C10H16N4O2 — CID 58216875

IUPAC5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide
SMILESC[C@@H]1C[C@H](n2ncc(C(N)=O)c2N)CCO1
InChIInChI=1S/C10H16N4O2/c1-6-4-7(2-3-16-6)14-9(11)8(5-13-14)10(12)15/h5-7H,2-4,11H2,1H3,(H2,12,15)/t6-,7-/m1/s1
InChIKeyDAPJLJKDEYZODN-RNFRBKRXSA-N
MW224.26 g/mol
LogP0.30
Rot. Bonds2

About 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide

5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide (PubChem CID 58216875) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide
PubChem CID58216875
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide
SMILESC[C@@H]1C[C@H](n2ncc(C(N)=O)c2N)CCO1
InChIInChI=1S/C10H16N4O2/c1-6-4-7(2-3-16-6)14-9(11)8(5-13-14)10(12)15/h5-7H,2-4,11H2,1H3,(H2,12,15)/t6-,7-/m1/s1
InChIKeyDAPJLJKDEYZODN-RNFRBKRXSA-N
XLogP0.30
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide (CID 58216875) is 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide is C[C@@H]1C[C@H](n2ncc(C(N)=O)c2N)CCO1.
What is the InChIKey of 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide?
The InChIKey is DAPJLJKDEYZODN-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-4-7(2-3-16-6)14-9(11)8(5-13-14)10(12)15/h5-7H,2-4,11H2,1H3,(H2,12,15)/t6-,7-/m1/s1.
What are the key properties of 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide?
5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2R,4R)-2-methyloxan-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 58216875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).