5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide

C8H15N5O2 — CID 155383535

IUPAC5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide
SMILESCNc1n[nH]c(N)c1C(=O)N[C@H](C)CO
InChIInChI=1S/C8H15N5O2/c1-4(3-14)11-8(15)5-6(9)12-13-7(5)10-2/h4,14H,3H2,1-2H3,(H,11,15)(H4,9,10,12,13)/t4-/m1/s1
InChIKeyVTLGLGWNUUSDFE-SCSAIBSYSA-N
MW213.24 g/mol
LogP-0.86
Rot. Bonds4

About 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide

5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide (PubChem CID 155383535) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide
PubChem CID155383535
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide
SMILESCNc1n[nH]c(N)c1C(=O)N[C@H](C)CO
InChIInChI=1S/C8H15N5O2/c1-4(3-14)11-8(15)5-6(9)12-13-7(5)10-2/h4,14H,3H2,1-2H3,(H,11,15)(H4,9,10,12,13)/t4-/m1/s1
InChIKeyVTLGLGWNUUSDFE-SCSAIBSYSA-N
XLogP-0.86
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide (CID 155383535) is 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide is CNc1n[nH]c(N)c1C(=O)N[C@H](C)CO.
What is the InChIKey of 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is VTLGLGWNUUSDFE-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-4(3-14)11-8(15)5-6(9)12-13-7(5)10-2/h4,14H,3H2,1-2H3,(H,11,15)(H4,9,10,12,13)/t4-/m1/s1.
What are the key properties of 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide?
5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.86, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-(methylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155383535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).