4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide

C10H17N5O2 — CID 122445348

IUPAC4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NC2CCNC[C@H]2O)n1
InChIInChI=1S/C10H17N5O2/c1-15-5-6(11)9(14-15)10(17)13-7-2-3-12-4-8(7)16/h5,7-8,12,16H,2-4,11H2,1H3,(H,13,17)/t7?,8-/m1/s1
InChIKeySFZTZTRXWWUPSK-BRFYHDHCSA-N
MW239.28 g/mol
LogP-1.55
Rot. Bonds2

About 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide

4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 122445348) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID122445348
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NC2CCNC[C@H]2O)n1
InChIInChI=1S/C10H17N5O2/c1-15-5-6(11)9(14-15)10(17)13-7-2-3-12-4-8(7)16/h5,7-8,12,16H,2-4,11H2,1H3,(H,13,17)/t7?,8-/m1/s1
InChIKeySFZTZTRXWWUPSK-BRFYHDHCSA-N
XLogP-1.55
TPSA105.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 122445348) is 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NC2CCNC[C@H]2O)n1.
What is the InChIKey of 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is SFZTZTRXWWUPSK-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15-5-6(11)9(14-15)10(17)13-7-2-3-12-4-8(7)16/h5,7-8,12,16H,2-4,11H2,1H3,(H,13,17)/t7?,8-/m1/s1.
What are the key properties of 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.55, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 122445348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).