(1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

C15H21N7O — CID 138006913

IUPAC(1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCn1cc(-c2cc(NC(=O)N3C[C@@H]4CC[C@]4(N)C3)n(C)n2)cn1
InChIInChI=1S/C15H21N7O/c1-20-7-10(6-17-20)12-5-13(21(2)19-12)18-14(23)22-8-11-3-4-15(11,16)9-22/h5-7,11H,3-4,8-9,16H2,1-2H3,(H,18,23)/t11-,15-/m0/s1
InChIKeySUGNNNACWVISEE-NHYWBVRUSA-N
MW315.38 g/mol
LogP0.78
Rot. Bonds2

About (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide

(1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 138006913) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID138006913
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name(1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
SMILESCn1cc(-c2cc(NC(=O)N3C[C@@H]4CC[C@]4(N)C3)n(C)n2)cn1
InChIInChI=1S/C15H21N7O/c1-20-7-10(6-17-20)12-5-13(21(2)19-12)18-14(23)22-8-11-3-4-15(11,16)9-22/h5-7,11H,3-4,8-9,16H2,1-2H3,(H,18,23)/t11-,15-/m0/s1
InChIKeySUGNNNACWVISEE-NHYWBVRUSA-N
XLogP0.78
TPSA94.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide (CID 138006913) is (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is Cn1cc(-c2cc(NC(=O)N3C[C@@H]4CC[C@]4(N)C3)n(C)n2)cn1.
What is the InChIKey of (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is SUGNNNACWVISEE-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H21N7O/c1-20-7-10(6-17-20)12-5-13(21(2)19-12)18-14(23)22-8-11-3-4-15(11,16)9-22/h5-7,11H,3-4,8-9,16H2,1-2H3,(H,18,23)/t11-,15-/m0/s1.
What are the key properties of (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide?
(1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-amino-N-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-5-yl]-3-azabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 138006913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).